Geometry & MOs

Info

ID:	371727
PubChem CID:	131271393
Reduced:	ISO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	175.070539
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	3.59
IP(EA), eV:	-9.35(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxyamino)-6-[(Z)-hydroxyiminomethyl]-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2I)C=O)C(=O)O

DOS

IR

Vibrations