Geometry & MOs

Info

ID:	339003
PubChem CID:	127260014
Reduced:	INSO3H10C15 (1)
Stoich.:	ABCD3E10F15 (1)
Weight, g/mol:	338.082409
ΔH_f, kcal/mol:	-18.63
Dipole, Da:	4.21
IP(EA), eV:	-9.04(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,5-trimethoxyphenyl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C(C=CN=C32)I

DOS

IR

Vibrations