Geometry & MOs

Info

ID:	338992
PubChem CID:	127260003
Reduced:	ClNSO3H10C15 (1)
Stoich.:	ABCD3E10F15 (1)
Weight, g/mol:	382.254166
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	4.34
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-propyldodecan-2-yl) benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations