Geometry & MOs

Info

ID:

99151

PubChem CID:

50048706

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-202.67

Dipole, Da:

7.39

IP(EA), eV:

 -8.94(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations