Geometry & MOs

Info

ID:	184405
PubChem CID:	77156372
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	708.276376
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	6.11
IP(EA), eV:	-8.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-[methoxycarbonyl(1,3-thiazol-5-yl)amino]-3-phenylpropyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-3-phenylpropan-2-yl]-N-(1,3-thiazol-5-yl)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

CC(C)C1(CCN(C1=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)N

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

CC(C)C1(CCN(C1=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):