Geometry & MOs

Info

ID:

94848

PubChem CID:

50004304

Reduced:

O4N5C36H45 (1)

Stoich.:

A4B5C36D45 (1)

Weight, g/mol:

631.292532

ΔHf, kcal/mol:

-150.54

Dipole, Da:

7.22

IP(EA), eV:

 -8.75(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations