Geometry & MOs

Info

ID:	13803
PubChem CID:	398490
Reduced:	S2N4H5C7 (2)
Stoich.:	A2B4C5D7 (2)
Weight, g/mol:	417.991127
ΔH_f, kcal/mol:	223.23
Dipole, Da:	8.12
IP(EA), eV:	-9.38(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCC2=C(N=C(C(=N2)C#N)C#N)CSC3=NN=C(S3)C

DOS

IR

Vibrations