Geometry & MOs

Info

ID:	188258
PubChem CID:	77690662
Reduced:	BN4O5C27H35 (1)
Stoich.:	AB4C5D27E35 (1)
Weight, g/mol:	858.402873
ΔH_f, kcal/mol:	-267.64
Dipole, Da:	2.75
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[2-[6-[9,9-difluoro-7-[2-[1-[[2-(methoxycarbonylamino)-3-methylbutyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

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

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C=C3)NC(=N4)C5CCCN5C(=O)C(C(C)C)NC(=O)O

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

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C=C3)NC(=N4)C5CCCN5C(=O)C(C(C)C)NC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):