Geometry & MOs

Info

ID:

92991

PubChem CID:

49990913

Reduced:

FO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

649.339483

ΔHf, kcal/mol:

-292.48

Dipole, Da:

7.84

IP(EA), eV:

 -8.49(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C)F

DOS

IR

Vibrations