Geometry & MOs

Info

ID:

120071

PubChem CID:

50712672

Reduced:

ClN3O3C19H24 (2)

Stoich.:

AB3C3D19E24 (2)

Weight, g/mol:

752.321974

ΔHf, kcal/mol:

-260.15

Dipole, Da:

10.53

IP(EA), eV:

 -8.89(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations