Geometry & MOs

Info

ID:	375702
PubChem CID:	134220871
Reduced:	BrClNSF2O2H11C18 (1)
Stoich.:	ABCDE2F2G11H18 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	3.56
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-pyrazol-1-ylphenoxy)methyl]-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)SCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations