Geometry & MOs

Info

ID:

111384

PubChem CID:

50363952

Reduced:

N3O3C20H24 (2)

Stoich.:

A3B3C20D24 (2)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-210.93

Dipole, Da:

6.7

IP(EA), eV:

 -8.27(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C(=O)N6CCCCC6

DOS

IR

Vibrations