Geometry & MOs

Info

ID:

112573

PubChem CID:

50411931

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

555.284555

ΔHf, kcal/mol:

-162.45

Dipole, Da:

3.27

IP(EA), eV:

 -8.56(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)NC

DOS

IR

Vibrations