Geometry & MOs

Info

ID:	388707
PubChem CID:	134989964
Reduced:	ION2S3C4H7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	315.920169
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	6.81
IP(EA), eV:	-8.53(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(benzenesulfonyl)-2-(4-chlorodithiazol-5-ylidene)acetonitrile

Drug info:

PubChemData

Smile

C(CSC1=S(SC(=N1)N)I)O

DOS

IR

Vibrations