Geometry & MOs

Info

ID:

111421

PubChem CID:

50366146

Reduced:

O4N5C38H53 (1)

Stoich.:

A4B5C38D53 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-189.23

Dipole, Da:

6.82

IP(EA), eV:

 -8.77(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-[1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations