Geometry & MOs

Info

ID:	405764
PubChem CID:	135075319
Reduced:	NSO4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	350.99286
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	5.31
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methyl-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations