Geometry & MOs

Info

ID:	375716
PubChem CID:	134220926
Reduced:	OPSN2F3C24H30 (1)
Stoich.:	ABCD2E3F24G30 (1)
Weight, g/mol:	380.155849
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	5.65
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(2-methylphenoxy)phenyl]-5lambda4-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene 5-oxide

Drug info:

PubChemData

Smile

CSCCN1C(CCCC1=C)CCCC2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)P

DOS

IR

Vibrations