Geometry & MOs

Info

ID:	309816
PubChem CID:	126560539
Reduced:	FO2N3C17H19 (2)
Stoich.:	AB2C3D17E19 (2)
Weight, g/mol:	692.307081
ΔH_f, kcal/mol:	-167.06
Dipole, Da:	4.14
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[6-[4-[2-[(1S)-1-[[1-[methoxycarbonyl(methyl)amino]cyclopropanecarbonyl]amino]ethyl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]methylcarbamoyl]cyclopropyl]-N-methylcarbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN1C(=O)C=CC(=N1)N2C[C@H]([C@@H](C2)C(=O)N[C@@H](CCN)CN[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)OC)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN1C(=O)C=CC(=N1)N2C[C@H]([C@@H](C2)C(=O)N[C@@H](CCN)CN[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)OC)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):