Geometry & MOs

Info

ID:	374987
PubChem CID:	131408691
Reduced:	NOSF3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	247.02787
ΔH_f, kcal/mol:	-168.43
Dipole, Da:	5.7
IP(EA), eV:	-8.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(SC2=CC=CC(=C21)N)C(F)(F)F

DOS

IR

Vibrations