Geometry & MOs

Info

ID:	138661
PubChem CID:	52402976
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	403.174612
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	3.62
IP(EA), eV:	-8.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-3,3,4,4,5,5,5-heptafluoropentan-2-olate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)CN4C(=O)CNC4=O)C

DOS

IR

Vibrations