Geometry & MOs

Info

ID:

190025

PubChem CID:

77943408

Reduced:

O3N4C21H26 (2)

Stoich.:

A3B4C21D26 (2)

Weight, g/mol:

845.401316

ΔHf, kcal/mol:

-182.66

Dipole, Da:

4.23

IP(EA), eV:

 -8.86(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[5-[4-[4-[2-[4-acetyl-1-(2-phenylacetyl)piperazin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C1=NC=C(N1)C2=CCC(CC2)(C)C3=CC=C(C=C3)C4=CN=C(N4)C5CCCN5C(=O)C(C6=CC=CC=C6)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations