Geometry & MOs

Info

ID:	16243
PubChem CID:	462651
Reduced:	NS3O5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	373.011236
ΔH_f, kcal/mol:	-169.72
Dipole, Da:	6.98
IP(EA), eV:	-8.61(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)dithiin-3-yl]methyl N-(4-methylphenyl)sulfonylcarbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCC2=CC=C(SS2)CO

DOS

IR

Vibrations