Geometry & MOs

Info

ID:

113645

PubChem CID:

50453308

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-226.93

Dipole, Da:

5.47

IP(EA), eV:

 -8.97(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4F)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations