Geometry & MOs

Info

ID:

115021

PubChem CID:

50506265

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

630.212424

ΔHf, kcal/mol:

-175.09

Dipole, Da:

6.04

IP(EA), eV:

 -8.74(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-chlorophenyl)-1-[1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N(C)C)Cl

DOS

IR

Vibrations