Geometry & MOs

Info

ID:	39702
PubChem CID:	8141987
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	2.22
IP(EA), eV:	-8.46(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations