Geometry & MOs

Info

ID:

92653

PubChem CID:

49988737

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-244.89

Dipole, Da:

4.92

IP(EA), eV:

 -8.48(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5CCCCC5

DOS

IR

Vibrations