Geometry & MOs

Info

ID:

185735

PubChem CID:

77341806

Reduced:

O3N4H18C19 (1)

Stoich.:

A3B4C18D19 (1)

Weight, g/mol:

798.410483

ΔHf, kcal/mol:

-9.57

Dipole, Da:

4.78

IP(EA), eV:

 -9.34(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-amino-3-oxo-2-pyridin-3-ylpropyl) N-[3-amino-3-oxo-2-(1-tritylimidazol-4-yl)propyl]-N-(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)carbamate

Drug info:

PubChemData

Smile

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)CC(=O)N)CC3C=CC(=O)N=N3

DOS

IR

Vibrations