Geometry & MOs

Info

ID:	340461
PubChem CID:	127262472
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	2.48
IP(EA), eV:	-8.73(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl) 2,6-dimethylbenzoate

Drug info:

PubChemData

Smile

CCCOC(=O)CC1OC2=CC=CC=C2S1

DOS

IR

Vibrations