Geometry & MOs

Info

ID:	52506
PubChem CID:	12015390
Reduced:	SN2O2C7H10 (2)
Stoich.:	AB2C2D7E10 (2)
Weight, g/mol:	364.006614
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	1.72
IP(EA), eV:	-9.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-amino-11-ethoxycarbonyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NN

DOS

IR

Vibrations