Geometry & MOs

Info

ID:	67686
PubChem CID:	46506968
Reduced:	BrFOSN2H16C18 (1)
Stoich.:	ABCDE2F16G18 (1)
Weight, g/mol:	372.130777
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	5.97
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-10-(4-fluoro-3-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

CC1=C(C=CC(=C1)N2C(=S)NC3CC2(OC4=C3C=C(C=C4)Br)C)F

DOS

IR

Vibrations