Geometry & MOs

Info

ID:	39730
PubChem CID:	8142066
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	308.079491
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	2.91
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-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)C3=C(C4=CC=CC=C4O3)C

DOS

IR

Vibrations