Geometry & MOs

Info

ID:	191359
PubChem CID:	78137149
Reduced:	FO3N6C13H17 (1)
Stoich.:	AB3C6D13E17 (1)
Weight, g/mol:	562.213758
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	1.82
IP(EA), eV:	-8.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-2-(2-methyl-6-sulfamoylhexan-2-yl)oxyacetic acid

Drug info:

PubChemData

Smile

C=CCC1(C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)N)F)O)CO

DOS

IR

Vibrations