Geometry & MOs

Info

ID:	375717
PubChem CID:	134220927
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	418.132669
ΔH_f, kcal/mol:	128.29
Dipole, Da:	5.69
IP(EA), eV:	-6.54(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[2-(trifluoromethyl)phenoxy]phenyl]-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=CC=C(C=C2)C34CCC(CC3)N5C4=NS(=O)CC5

DOS

IR

Vibrations