Geometry & MOs

Info

ID:	172130
PubChem CID:	75470872
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	336.077993
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	4.63
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations