Geometry & MOs

Info

ID:	17459
PubChem CID:	499624
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene

Drug info:

PubChemData

Smile

CC12CC(C3=CC=CC=C3O1)N4CCSC4=N2

DOS

IR

Vibrations