Geometry & MOs

Info

ID:	30543
PubChem CID:	841474
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	4.06
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-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=CC(=CC(=C3)C)C

DOS

IR

Vibrations