Geometry & MOs

Info

ID:

117484

PubChem CID:

50604420

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-234.93

Dipole, Da:

12.12

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(cyclohexanecarbonylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)NC2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations