Geometry & MOs

Info

ID:	388271
PubChem CID:	134988672
Reduced:	NS2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	319.955128
ΔH_f, kcal/mol:	-98.16
Dipole, Da:	4.41
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;hydroxy-[2-[[hydroxy(oxido)phosphoryl]carbonylamino]ethylcarbamoyl]phosphinate

Drug info:

PubChemData

Smile

CCOC1=CC(SC(C1)(C(=O)OCC)SC)C#N

DOS

IR

Vibrations