Geometry & MOs

Info

ID:	339014
PubChem CID:	127260025
Reduced:	SO6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	312.175916
ΔH_f, kcal/mol:	-210.26
Dipole, Da:	6.88
IP(EA), eV:	-9.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyldecyl benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCCOCCOS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations