Geometry & MOs

Info

ID:	176125
PubChem CID:	75999330
Reduced:	SF3O3N5H16C20 (1)
Stoich.:	AB3C3D5E16F20 (1)
Weight, g/mol:	504.169208
ΔH_f, kcal/mol:	-106.7
Dipole, Da:	1.88
IP(EA), eV:	-8.92(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC[N+]1=NOC(=C1)N=C(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C#N)[O-]

DOS

IR

Vibrations