Geometry & MOs

Info

ID:	339643
PubChem CID:	127261633
Reduced:	SO2N5C7H11 (1)
Stoich.:	AB2C5D7E11 (1)
Weight, g/mol:	176.073182
ΔH_f, kcal/mol:	45.66
Dipole, Da:	10.79
IP(EA), eV:	-8.32(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(E)-3-(hydroxyamino)but-2-en-2-yl]amino]thiourea

Drug info:

PubChemData

Smile

C1CC(=C(/C(=N\NC(=S)N)/C1)N=O)NO

DOS

IR

Vibrations