Geometry & MOs

Info

ID:

98373

PubChem CID:

50043274

Reduced:

O4N5C34H39 (1)

Stoich.:

A4B5C34D39 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-124.21

Dipole, Da:

3.4

IP(EA), eV:

 -8.49(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations