Geometry & MOs

Info

ID:	176233
PubChem CID:	76014816
Reduced:	SN3O3H13C17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	341.029269
ΔH_f, kcal/mol:	-28.2
Dipole, Da:	1.83
IP(EA), eV:	-8.84(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylsulfanylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3C(=NC2=O)C4=C(S3)N=CC=C4

DOS

IR

Vibrations