Geometry & MOs

Info

ID:

95478

PubChem CID:

50009672

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-215.22

Dipole, Da:

9.95

IP(EA), eV:

 -8.97(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C)C

DOS

IR

Vibrations