Geometry & MOs

Info

ID:	159115
PubChem CID:	57260400
Reduced:	O2C5H6 (1)
Stoich.:	A2B5C6 (1)
Weight, g/mol:	334.072239
ΔH_f, kcal/mol:	12.97
Dipole, Da:	0.9
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3,5-dimethoxy-4-sulfooxybenzoate

Drug info:

PubChemData

Smile

C1=C=CC(C1O)O

DOS

IR

Vibrations