Geometry & MOs

Info

ID:	57197
PubChem CID:	22395466
Reduced:	N3O10C14H24 (1)
Stoich.:	A3B10C14D24 (1)
Weight, g/mol:	375.199391
ΔH_f, kcal/mol:	-415.77
Dipole, Da:	8.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755373
Charge, e:	-1

Chem-info

IUPAC name:

2-dodecylnaphthalene-1-sulfonate

Drug info:

PubChemData

Smile

C(CN(CC(=O)O)CC(=O)O)NCC[N+](CC(=O)O)(CC(=O)O)CC(=O)O

DOS

IR

Vibrations