Geometry & MOs

Info

ID:	162425
PubChem CID:	57394631
Reduced:	OS2N4H10C11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	307.986024
ΔH_f, kcal/mol:	63.01
Dipole, Da:	1.85
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methyl-5,8,10-trithia-3-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,11-tetraen-4-yl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCN1C(=O)N(C=N1)C2=NC(=CS2)C3=CSC=C3

DOS

IR

Vibrations