Geometry & MOs

Info

ID:	33480
PubChem CID:	7886685
Reduced:	BrO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	346.060984
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	6.68
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[2-(2-fluorophenoxy)ethylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

Drug info:

PubChemData

Smile

CCCNC(=O)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations