Geometry & MOs

Info

ID:	374983
PubChem CID:	131408687
Reduced:	NOSF3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	247.02787
ΔH_f, kcal/mol:	-161.46
Dipole, Da:	5.47
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C(=C1)C(F)(F)F)SC=C2)N

DOS

IR

Vibrations