Geometry & MOs

Info

ID:

109096

PubChem CID:

50272826

Reduced:

O5N6C42H46 (1)

Stoich.:

A5B6C42D46 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-143.41

Dipole, Da:

10.42

IP(EA), eV:

 -8.59(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(dimethylcarbamoyl)-2-methylphenyl]-1-[1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6C)C

DOS

IR

Vibrations