Geometry & MOs

Info

ID:	33355
PubChem CID:	7886061
Reduced:	SN3O4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	3.23
IP(EA), eV:	-8.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(2-chlorophenoxy)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3

DOS

IR

Vibrations