Geometry & MOs

Info

ID:

91776

PubChem CID:

49979013

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-217.07

Dipole, Da:

11.37

IP(EA), eV:

 -8.58(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-methylanilino)-2-oxoethyl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations