Geometry & MOs

Info

ID:

114726

PubChem CID:

50494116

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-172.64

Dipole, Da:

10.41

IP(EA), eV:

 -8.97(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexylcarbamoyl)phenyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations