Geometry & MOs

Info

ID:	39729
PubChem CID:	8142065
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	3.02
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(6S)-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=C(C4=CC=CC=C4O3)C

DOS

IR

Vibrations