Geometry & MOs

Info

ID:

94380

PubChem CID:

50000444

Reduced:

Cl2O4N5C35H47 (1)

Stoich.:

A2B4C5D35E47 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-205.27

Dipole, Da:

5.21

IP(EA), eV:

 -8.79(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations