Geometry & MOs

Info

ID:

103685

PubChem CID:

50072276

Reduced:

N3O3C20H22 (2)

Stoich.:

A3B3C20D22 (2)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-174.62

Dipole, Da:

8.7

IP(EA), eV:

 -8.32(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations