Geometry & MOs

Info

ID:

103649

PubChem CID:

50072087

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-189.26

Dipole, Da:

9.09

IP(EA), eV:

 -8.44(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations