Geometry & MOs

Info

ID:	14728
PubChem CID:	419156
Reduced:	S2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	320.087787
ΔH_f, kcal/mol:	106.01
Dipole, Da:	4.15
IP(EA), eV:	-9.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-carbamimidoylsulfanyl-2-cinnolin-4-ylpropyl) carbamimidothioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN=N2)C(CSC(=N)N)CSC(=N)N

DOS

IR

Vibrations