Geometry & MOs

Info

ID:	338298
PubChem CID:	127258990
Reduced:	NO3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	444.246494
ΔH_f, kcal/mol:	-237.92
Dipole, Da:	4.04
IP(EA), eV:	-9.38(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorooctadecyl benzenesulfonate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC1CN[C@@H](C1OC)C(=O)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations