Geometry & MOs

Info

ID:	390546
PubChem CID:	134999652
Reduced:	NSO4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	404.02337
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	3.05
IP(EA), eV:	-9.42(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,4-dioxo-[1,2]thiazolo[5,4-d][1,2]oxazol-6-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NO2)CS(=O)(=O)O

DOS

IR

Vibrations