Geometry & MOs

Info

ID:	256058
PubChem CID:	103136740
Reduced:	SN2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	268.07693
ΔH_f, kcal/mol:	75.62
Dipole, Da:	3.17
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyloxolan-2-yl)methylsulfinyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(C3=CC=CC4=C3C=NC=C4)N

DOS

IR

Vibrations