Geometry & MOs

Info

ID:

94072

PubChem CID:

49998425

Reduced:

Cl2O4N5C33H43 (1)

Stoich.:

A2B4C5D33E43 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-194.03

Dipole, Da:

9.95

IP(EA), eV:

 -9.05(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-methylanilino)-1-oxopropan-2-yl]-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(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations