Geometry & MOs

Info

ID:

92845

PubChem CID:

49989924

Reduced:

ClO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

641.25356

ΔHf, kcal/mol:

-197.05

Dipole, Da:

8.65

IP(EA), eV:

 -8.85(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,3-dichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)Cl

DOS

IR

Vibrations