Geometry & MOs

Info

ID:	47906
PubChem CID:	10535796
Reduced:	OSF3H5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-172.46
Dipole, Da:	2.76
IP(EA), eV:	-9.6(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3,5-dihydroxybenzoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CC(F)(F)F

DOS

IR

Vibrations