Geometry & MOs

Info

ID:	146542
PubChem CID:	53702917
Reduced:	NS2O6C10H12 (1)
Stoich.:	AB2C6D10E12 (1)
Weight, g/mol:	260.060895
ΔH_f, kcal/mol:	-200.46
Dipole, Da:	6.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763376
Charge, e:	1

Chem-info

IUPAC name:

[3-(2,4-dichlorophenyl)-3-oxopropyl]-trimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)N[C@@H](CS(=O)[O-])C(=O)O

DOS

IR

Vibrations