Geometry & MOs

Info

ID:

97450

PubChem CID:

50031838

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-189.01

Dipole, Da:

3.18

IP(EA), eV:

 -8.7(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations