Geometry & MOs

Info

ID:

92125

PubChem CID:

49983180

Reduced:

N5O6C32H43 (1)

Stoich.:

A5B6C32D43 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-240.72

Dipole, Da:

10.99

IP(EA), eV:

 -8.35(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-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)NCCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations