Geometry & MOs

Info

ID:

92159

PubChem CID:

49983545

Reduced:

N6O6C39H52 (1)

Stoich.:

A6B6C39D52 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-240.89

Dipole, Da:

10.43

IP(EA), eV:

 -8.84(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)OC

DOS

IR

Vibrations