Geometry & MOs

Info

ID:

113531

PubChem CID:

50449730

Reduced:

N3O3C20H22 (2)

Stoich.:

A3B3C20D22 (2)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-185.65

Dipole, Da:

8.7

IP(EA), eV:

 -8.52(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations