Geometry & MOs

Info

ID:	176126
PubChem CID:	75999460
Reduced:	SO3N8C24H24 (1)
Stoich.:	AB3C8D24E24 (1)
Weight, g/mol:	520.114059
ΔH_f, kcal/mol:	97.68
Dipole, Da:	7.26
IP(EA), eV:	-9.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=NC3=C[N+](=NO3)N4CCOCC4)[O-])N)C#N

DOS

IR

Vibrations