Geometry & MOs

Info

ID:	339630
PubChem CID:	127261620
Reduced:	OSN3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	235.02379
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	4.55
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-thiochromen-4-ylideneamino]thiourea

Drug info:

PubChemData

Smile

CC1CC/C(=N\NC(=S)N)/C1=O

DOS

IR

Vibrations