Geometry & MOs

Info

ID:

103570

PubChem CID:

50071799

Reduced:

O5N6C41H46 (1)

Stoich.:

A5B6C41D46 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-163.34

Dipole, Da:

7.62

IP(EA), eV:

 -8.48(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations