Geometry & MOs

Info

ID:

190041

PubChem CID:

77944066

Reduced:

O3C20H32 (1)

Stoich.:

A3B20C32 (1)

Weight, g/mol:

777.375101

ΔHf, kcal/mol:

-182.1

Dipole, Da:

4.63

IP(EA), eV:

 -10.01(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[5-[4-[5-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridin-2-yl]phenyl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2CO)C(CC4C3(CCC(=O)C4)C)O

DOS

IR

Vibrations