Geometry & MOs

Info

ID:	374822
PubChem CID:	131348154
Reduced:	SF2N2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	238.037626
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	1.75
IP(EA), eV:	-8.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-7-(difluoromethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1N)CC#N)C(F)F

DOS

IR

Vibrations