Geometry & MOs

Info

ID:

110370

PubChem CID:

50322536

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-246.49

Dipole, Da:

5.09

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)N4CCOCC4)C(=O)NC(C)C

DOS

IR

Vibrations