Geometry & MOs

Info

ID:

100137

PubChem CID:

50058679

Reduced:

O4N5C37H45 (1)

Stoich.:

A4B5C37D45 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-145.73

Dipole, Da:

5.88

IP(EA), eV:

 -8.76(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-6-methylphenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)C

DOS

IR

Vibrations