Geometry & MOs

Info

ID:	39704
PubChem CID:	8141991
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	338.090055
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	4.05
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-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)/C=C/C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations