Geometry & MOs

Info

ID:	412864
PubChem CID:	135085793
Reduced:	SeO2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	248.011924
ΔH_f, kcal/mol:	27.06
Dipole, Da:	0.99
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(2R)-4-phenylbut-3-yn-2-yl] sulfate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=C[Se]C=C1)/N=[N+]=[N-]

DOS

IR

Vibrations