Geometry & MOs

Info

ID:	335613
PubChem CID:	127254475
Reduced:	S2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	510.157306
ΔH_f, kcal/mol:	-18.51
Dipole, Da:	6.93
IP(EA), eV:	-8.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]propyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC3=C4CSCC4=NN3C

DOS

IR

Vibrations