Geometry & MOs

Info

ID:	39731
PubChem CID:	8142069
Reduced:	OSF2N2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	3.69
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations