Geometry & MOs

Info

ID:

116675

PubChem CID:

50571102

Reduced:

Cl2O5N6C30H38 (1)

Stoich.:

A2B5C6D30E38 (1)

Weight, g/mol:

722.319476

ΔHf, kcal/mol:

-221.04

Dipole, Da:

3.98

IP(EA), eV:

 -9.23(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)Cl

DOS

IR

Vibrations