Geometry & MOs

Info

ID:	143997
PubChem CID:	53296365
Reduced:	SCl2O3N7H11C18 (1)
Stoich.:	AB2C3D7E11F18 (1)
Weight, g/mol:	476.009939
ΔH_f, kcal/mol:	55.04
Dipole, Da:	8.84
IP(EA), eV:	-9.37(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)pyridin-2-yl]sulfanyl-N-(2,3-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C[N+]1=NOC(=C1C2=C(C(=NC(=C2C#N)SCC(=O)NC3=C(C(=CC=C3)Cl)Cl)N)C#N)[O-]

DOS

IR

Vibrations