Geometry & MOs

Info

ID:	191950
PubChem CID:	78207759
Reduced:	SN2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	281.065654
ΔH_f, kcal/mol:	81.32
Dipole, Da:	8.33
IP(EA), eV:	-8.63(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),6-dien-3-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC3=NC(=S)N=C(C23)N

DOS

IR

Vibrations