Geometry & MOs

Info

ID:	191310
PubChem CID:	78129184
Reduced:	OSN2C5H6 (2)
Stoich.:	ABC2D5E6 (2)
Weight, g/mol:	298.019433
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	7.46
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6-nitro-1-oxo-2,3-dihydrothiochromen-4-ylidene)amino]thiourea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2=C(C1=NNC(=S)N)C=C(C=C2)N

DOS

IR

Vibrations