Geometry & MOs

Info

ID:	373478
PubChem CID:	131315941
Reduced:	FSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	200.058578
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	3.33
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-amino-1-benzofuran-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1)CC(=O)O)SC=C2F

DOS

IR

Vibrations