Geometry & MOs

Info

ID:

109205

PubChem CID:

50276598

Reduced:

N3O3C20H22 (2)

Stoich.:

A3B3C20D22 (2)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-182.95

Dipole, Da:

16.7

IP(EA), eV:

 -8.56(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations