Geometry & MOs

Info

ID:	197585
PubChem CID:	78979627
Reduced:	SN3O3C10H11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	325.024264
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	9.98
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-fluoro-1-benzothiophene-2-carbonyl)thiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SC(C)C2=CC=C(O2)C(=O)O

DOS

IR

Vibrations