Geometry & MOs

Info

ID:	191309
PubChem CID:	78129183
Reduced:	N3S3O4C11H13 (1)
Stoich.:	A3B3C4D11E13 (1)
Weight, g/mol:	284.040168
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(C=C1)S(=O)(=O)CCC2=NNC(=S)N

DOS

IR

Vibrations