Geometry & MOs

Info

ID:

97594

PubChem CID:

50032846

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-197.31

Dipole, Da:

7.15

IP(EA), eV:

 -8.79(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)C

DOS

IR

Vibrations