Geometry & MOs

Info

ID:	339071
PubChem CID:	127260082
Reduced:	O2S2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-77.08
Dipole, Da:	4.82
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCOS(=O)(=S)C1=CC=CC=C1

DOS

IR

Vibrations