Geometry & MOs

Info

ID:	32980
PubChem CID:	7849919
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	372.077993
ΔH_f, kcal/mol:	-213.8
Dipole, Da:	6.43
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-cyanoanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations