Geometry & MOs

Info

ID:	165809
PubChem CID:	74600408
Reduced:	SN3O8H18C19 (1)
Stoich.:	AB3C8D18E19 (1)
Weight, g/mol:	310.076545
ΔH_f, kcal/mol:	-183.07
Dipole, Da:	4.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754701
Charge, e:	1

Chem-info

IUPAC name:

2-(2,4-dichlorophenyl)ethyl-(2-hydroxy-2-phenylethyl)azanium

Drug info:

PubChemData

Smile

C1CN(C(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations