Geometry & MOs

Info

ID:	24442
PubChem CID:	610342
Reduced:	OSN4C8H8 (1)
Stoich.:	ABC4D8E8 (1)
Weight, g/mol:	208.041882
ΔH_f, kcal/mol:	28.49
Dipole, Da:	2.35
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one

Drug info:

PubChemData

Smile

CN1C=C2C(=N1)N=C3N(C2=O)CCS3

DOS

IR

Vibrations