Geometry & MOs

Info

ID:

105246

PubChem CID:

50106737

Reduced:

FN4O4C31H35 (1)

Stoich.:

AB4C4D31E35 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-173.28

Dipole, Da:

6.56

IP(EA), eV:

 -8.46(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)phenyl]-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations