Geometry & MOs

Info

ID:

114533

PubChem CID:

50486964

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-215.11

Dipole, Da:

10.48

IP(EA), eV:

 -8.92(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations