Geometry & MOs

Info

ID:	39726
PubChem CID:	8142057
Reduced:	SF2N2O2C16H16 (1)
Stoich.:	AB2C2D2E16F16 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-148.43
Dipole, Da:	4.16
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations