Geometry & MOs

Info

ID:	431487
PubChem CID:	135171568
Reduced:	ClSO2N5C19H20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	404.02235
ΔH_f, kcal/mol:	23.76
Dipole, Da:	3.87
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluorophenyl)-5-(2-fluorophenyl)-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

CCC1=NN=C2N1CCOC3=C2C=C(C=N3)N(C)SC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations