Geometry & MOs

Info

ID:	30588
PubChem CID:	841543
Reduced:	FNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	6.99
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCC3

DOS

IR

Vibrations