Geometry & MOs

Info

ID:	33357
PubChem CID:	7886067
Reduced:	S2O3N4C18H22 (1)
Stoich.:	A2B3C4D18E22 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	2.37
IP(EA), eV:	-8.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(4-methoxyphenoxy)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC(=O)N)SC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C

DOS

IR

Vibrations