Geometry & MOs

Info

ID:

111493

PubChem CID:

50370240

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

637.303097

ΔHf, kcal/mol:

-234.48

Dipole, Da:

7.2

IP(EA), eV:

 -8.74(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(morpholine-4-carbonyl)phenyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C(=O)NC5CCCC5

DOS

IR

Vibrations