Geometry & MOs

Info

ID:	67367
PubChem CID:	46506359
Reduced:	ClSN2O2H19C24 (1)
Stoich.:	ABC2D2E19F24 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-3.46
Dipole, Da:	5.43
IP(EA), eV:	-8.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl)-N-(4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC12CC(C3=CC=CC=C3O1)N(C(=S)N2C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations