Geometry & MOs

Info

ID:

92517

PubChem CID:

49987522

Reduced:

O5N6C35H46 (1)

Stoich.:

A5B6C35D46 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-209.25

Dipole, Da:

11.3

IP(EA), eV:

 -8.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

DOS

IR

Vibrations