Geometry & MOs

Info

ID:	39733
PubChem CID:	8142080
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	304.104563
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	1.5
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-[(6R)-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)[C@@H](C)OC3=CC=CC(=C3)C

DOS

IR

Vibrations