Geometry & MOs

Info

ID:

98111

PubChem CID:

50039822

Reduced:

F4O5N6C42H42 (1)

Stoich.:

A4B5C6D42E42 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-320.9

Dipole, Da:

12.51

IP(EA), eV:

 -8.98(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC=C6F)F)C

DOS

IR

Vibrations