Geometry & MOs

Info

ID:

114970

PubChem CID:

50503993

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

623.20661

ΔHf, kcal/mol:

-193.56

Dipole, Da:

9.29

IP(EA), eV:

 -8.46(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(4-methylbenzoyl)amino]phenyl]-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations