Geometry & MOs

Info

ID:	227129
PubChem CID:	87560306
Reduced:	S2C3H6 (2)
Stoich.:	A2B3C6 (2)
Weight, g/mol:	382.089997
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	2.99
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3,4,5-trihydroxybenzoate;3,4,5-trihydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CC(SSC1)(CS)CS

DOS

IR

Vibrations