Geometry & MOs

Info

ID:	39728
PubChem CID:	8142060
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	3.56
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations