Geometry & MOs

Info

ID:	225719
PubChem CID:	87225392
Reduced:	SP2N6O11C25H28 (1)
Stoich.:	AB2C6D11E25F28 (1)
Weight, g/mol:	167.904584
ΔH_f, kcal/mol:	-479.58
Dipole, Da:	12.94
IP(EA), eV:	-9.14(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-dithiole;zinc

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)N(CCP(=O)(O)O)CCP(=O)(O)O)/N2

DOS

IR

Vibrations