Geometry & MOs

Info

ID:	187540
PubChem CID:	77586722
Reduced:	F3N3O4C23H24 (1)
Stoich.:	A3B3C4D23E24 (1)
Weight, g/mol:	431.162725
ΔH_f, kcal/mol:	-258.55
Dipole, Da:	6.73
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-3,5-dicyano-6-sulfanylidenepiperidin-4-yl)phenoxy]acetic acid;4-methylmorpholine

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=CC(=NC=N2)NCC(C3=CC=CC=C3)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations