Geometry & MOs

Info

ID:	374779
PubChem CID:	131343022
Reduced:	NOF2S2H9C10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	227.058027
ΔH_f, kcal/mol:	-105.1
Dipole, Da:	4.69
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-5-ethyl-1-benzothiophen-7-amine

Drug info:

PubChemData

Smile

CSC1=C(C=CC2=C1SC=C2N)OC(F)F

DOS

IR

Vibrations