Geometry & MOs

Info

ID:

108164

PubChem CID:

50233112

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-274.22

Dipole, Da:

4.43

IP(EA), eV:

 -8.28(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)C

DOS

IR

Vibrations