Geometry & MOs

Info

ID:	256061
PubChem CID:	103136767
Reduced:	SN2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	345.98744
ΔH_f, kcal/mol:	73.49
Dipole, Da:	4.28
IP(EA), eV:	-8.74(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC=C1C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations