Geometry & MOs

Info

ID:

93689

PubChem CID:

49996046

Reduced:

O4N5C34H45 (1)

Stoich.:

A4B5C34D45 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-170.32

Dipole, Da:

9.54

IP(EA), eV:

 -8.57(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations