Geometry & MOs

Info

ID:

307904

PubChem CID:

125310700

Reduced:

O4N5C13H17 (1)

Stoich.:

A4B5C13D17 (1)

Weight, g/mol:

799.346025

ΔHf, kcal/mol:

-101.33

Dipole, Da:

2.78

IP(EA), eV:

 -9.35(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-[4-[5-chloro-3-[3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxobenzimidazol-1-yl]propyl]-2-oxobenzimidazol-1-yl]piperidin-1-yl]propyl]-2-oxobenzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)N[C@@H]1CC(=NN1C2=NC(=O)CC(=N2)C)C

DOS

IR

Vibrations