Geometry & MOs

Info

ID:

114818

PubChem CID:

50497405

Reduced:

FO4N5C38H40 (1)

Stoich.:

AB4C5D38E40 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-155.48

Dipole, Da:

4.16

IP(EA), eV:

 -8.68(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations