Geometry & MOs

Info

ID:	14167
PubChem CID:	405592
Reduced:	SH2N3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	247.993887
ΔH_f, kcal/mol:	165.38
Dipole, Da:	8.88
IP(EA), eV:	-9.24(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-2-sulfanyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,6,8,11-pentaene-11-carbonitrile

Drug info:

PubChemData

Smile

C1=NN=C2C1=C(N3C(=C(SC3=N2)C#N)N)S

DOS

IR

Vibrations