Geometry & MOs

Info

ID:	165708
PubChem CID:	74585765
Reduced:	ClSN2O4C14H20 (1)
Stoich.:	ABC2D4E14F20 (1)
Weight, g/mol:	311.142939
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	9.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.841954
Charge, e:	1

Chem-info

IUPAC name:

[2-(3,5-dimethylanilino)-2-oxoethyl]-(1,1-dioxothiolan-3-yl)-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CC(=O)NC1=CC(=C(C=C1)OC)Cl)C2CCS(=O)(=O)C2

DOS

IR

Vibrations