Geometry & MOs

Info

ID:	374982
PubChem CID:	131408531
Reduced:	SF2N2O2H6C9 (1)
Stoich.:	AB2C2D2E6F9 (1)
Weight, g/mol:	247.02787
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	6.21
IP(EA), eV:	-8.78(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-7-(trifluoromethyl)-1-benzothiophen-4-amine

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1C(F)F)[N+](=O)[O-])SC=C2N

DOS

IR

Vibrations