Geometry & MOs

Info

ID:	32887
PubChem CID:	7849146
Reduced:	SO5C21H26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	395.059422
ΔH_f, kcal/mol:	-214.44
Dipole, Da:	5.52
IP(EA), eV:	-9.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations