Geometry & MOs

Info

ID:

120116

PubChem CID:

50714678

Reduced:

ClN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-202.91

Dipole, Da:

9.04

IP(EA), eV:

 -8.36(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)OC

DOS

IR

Vibrations