Geometry & MOs

Info

ID:	18899
PubChem CID:	550786
Reduced:	O2H3S3N5C7 (1)
Stoich.:	A2B3C3D5E7 (1)
Weight, g/mol:	284.944888
ΔH_f, kcal/mol:	121.1
Dipole, Da:	5.46
IP(EA), eV:	-9.79(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylsulfanyl-5-nitro-6-thiocyanatopyrimidin-4-yl) thiocyanate

Drug info:

PubChemData

Smile

CSC1=NC(=C(C(=N1)SC#N)[N+](=O)[O-])SC#N

DOS

IR

Vibrations