Geometry & MOs

Info

ID:	67685
PubChem CID:	46506966
Reduced:	FOSN2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	406.01508
ΔH_f, kcal/mol:	-43.08
Dipole, Da:	6.11
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-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=CC=CC=C34)C)F

DOS

IR

Vibrations