Geometry & MOs

Info

ID:	177522
PubChem CID:	76197105
Reduced:	ClSN4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	388.06236
ΔH_f, kcal/mol:	99.31
Dipole, Da:	1.65
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-carbamimidoylsulfanylbut-2-enyl carbamimidothioate;2,4-dinitrophenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N)N2N=CC3=CN=CC=C3.Cl

DOS

IR

Vibrations