Geometry & MOs

Info

ID:	293440
PubChem CID:	117388974
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	48.6
Dipole, Da:	4.77
IP(EA), eV:	-9.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-1,3-benzoxathiol-6-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=C(C=C2)N3C=NC=N3)N=C=O

DOS

IR

Vibrations