Geometry & MOs

Info

ID:

112222

PubChem CID:

50399114

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

650.298346

ΔHf, kcal/mol:

-228.83

Dipole, Da:

4.94

IP(EA), eV:

 -8.9(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCC(C)C)C(=O)NC4CCCC4

DOS

IR

Vibrations