Geometry & MOs

Info

ID:

119881

PubChem CID:

50706091

Reduced:

BrClO3N4C25H30 (1)

Stoich.:

ABC3D4E25F30 (1)

Weight, g/mol:

734.298346

ΔHf, kcal/mol:

-105.41

Dipole, Da:

4.3

IP(EA), eV:

 -9.12(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations