Geometry & MOs

Info

ID:

111959

PubChem CID:

50388882

Reduced:

O4N5C37H51 (1)

Stoich.:

A4B5C37D51 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-187.23

Dipole, Da:

5.15

IP(EA), eV:

 -8.76(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5C

DOS

IR

Vibrations