Geometry & MOs

Info

ID:

97510

PubChem CID:

50032226

Reduced:

N2O2C13H14 (3)

Stoich.:

A2B2C13D14 (3)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-176.63

Dipole, Da:

7.85

IP(EA), eV:

 -8.19(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-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=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations