Geometry & MOs

Info

ID:

92308

PubChem CID:

49985090

Reduced:

N6O6C37H50 (1)

Stoich.:

A6B6C37D50 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-257.65

Dipole, Da:

8.9

IP(EA), eV:

 -8.72(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-oxopropyl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations