Geometry & MOs

Info

ID:

108537

PubChem CID:

50248886

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

617.281361

ΔHf, kcal/mol:

-204.27

Dipole, Da:

7.18

IP(EA), eV:

 -9.12(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)phenyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations