Geometry & MOs

Info

ID:	148792
PubChem CID:	53788461
Reduced:	SN2O6H28C30 (1)
Stoich.:	AB2C6D28E30 (1)
Weight, g/mol:	344.084005
ΔH_f, kcal/mol:	-168.85
Dipole, Da:	3.82
IP(EA), eV:	-9.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylsulfinylethyl)-6-(trifluoromethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N(C(=O)[C@H](C(CC2=CC=CC=C2)C(=O)O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations