Geometry & MOs

Info

ID:

92291

PubChem CID:

49985050

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-234.42

Dipole, Da:

7.57

IP(EA), eV:

 -8.92(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-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)NC(C)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations