Geometry & MOs

Info

ID:

97661

PubChem CID:

50033546

Reduced:

O5N6C39H42 (1)

Stoich.:

A5B6C39D42 (1)

Weight, g/mol:

660.306018

ΔHf, kcal/mol:

-146.51

Dipole, Da:

6.72

IP(EA), eV:

 -8.68(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamidoanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations