Geometry & MOs

Info

ID:	14007
PubChem CID:	401461
Reduced:	ClNO2S2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	322.984149
ΔH_f, kcal/mol:	50.32
Dipole, Da:	6.8
IP(EA), eV:	-9.15(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=[N+](C2=CC=C(C=C2)Cl)[O-])OC(=S)S

DOS

IR

Vibrations