Geometry & MOs

Info

ID:	54888
PubChem CID:	17389487
Reduced:	ClNO3H19C21 (2)
Stoich.:	ABC3D19E21 (2)
Weight, g/mol:	299.079373
ΔH_f, kcal/mol:	-148.0
Dipole, Da:	4.46
IP(EA), eV:	-8.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(/C(=C\NC3=CC=CC=C3Cl)/C(=O)C(=C2C(C)C)O)C(=C1C4=C(C\5=C(C=C4C)C(=C(C(=O)/C5=C\NC6=CC=CC=C6Cl)O)C(C)C)O)O

DOS

IR

Vibrations