Geometry & MOs

Info

ID:	226667
PubChem CID:	87550999
Reduced:	NSCl2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	450.22599
ΔH_f, kcal/mol:	-87.18
Dipole, Da:	10.13
IP(EA), eV:	-8.61(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trimethylazaniumyl)ethyl hydrogen phosphate;1-(trimethylazaniumyl)octan-2-yl hydrogen phosphate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2)Cl)S(=O)(=O)O)Cl

DOS

IR

Vibrations