Geometry & MOs

Info

ID:	378615
PubChem CID:	134224707
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	235.02379
ΔH_f, kcal/mol:	-44.56
Dipole, Da:	3.78
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyldithiiran-1-yl)-2H-indazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NNC2=C1CSCC2CC(C)C3=NNC4=C3CCS(=O)(=O)C4

DOS

IR

Vibrations