Geometry & MOs

Info

ID:	24325
PubChem CID:	609340
Reduced:	SN4H8C9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	204.046967
ΔH_f, kcal/mol:	86.29
Dipole, Da:	2.45
IP(EA), eV:	-9.15(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C3=NC=NN3C=N2)C

DOS

IR

Vibrations