Geometry & MOs

Info

ID:	67369
PubChem CID:	46506361
Reduced:	BrN3O3H20C24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	378.03604
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	6.44
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Drug info:

PubChemData

Smile

CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)NC5=CC(=CC=C5)Br

DOS

IR

Vibrations