Geometry & MOs

Info

ID:	23049
PubChem CID:	601365
Reduced:	NO4H17C25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	395.115758
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	1.61
IP(EA), eV:	-9.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC=C6C(=O)O

DOS

IR

Vibrations