Geometry & MOs

Info

ID:

120021

PubChem CID:

50711746

Reduced:

ClN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-235.4

Dipole, Da:

5.59

IP(EA), eV:

 -8.04(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)Cl)OC

DOS

IR

Vibrations