Geometry & MOs

Info

ID:	186036
PubChem CID:	77382764
Reduced:	FNO4C25H26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	459.115187
ΔH_f, kcal/mol:	-179.71
Dipole, Da:	3.59
IP(EA), eV:	-8.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-fluorophenyl)-9,9-dioxo-9lambda6-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-3,5-dihydroxyhept-6-enoic acid

Drug info:

PubChemData

Smile

CC1CCC2=C3N1C(=C(C3=CC=C2)C4=CC=C(C=C4)F)C=CC(CC(CC(=O)O)O)O

DOS

IR

Vibrations