Geometry & MOs

Info

ID:	68037
PubChem CID:	46507641
Reduced:	ClN2O4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	362.06559
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	6.03
IP(EA), eV:	-8.71(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-10-(4-fluoro-2-methylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Drug info:

PubChemData

Smile

CC(=O)O/N=C\1/C(=CC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations