Geometry & MOs

Info

ID:	437738
PubChem CID:	135226967
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	409.86148
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	5.44
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-iodophenoxy)-2,4-difluorobenzene

Drug info:

PubChemData

Smile

CC1(CCC(CC1)OC2=C(C=C(C=C2)S(=N)(=O)C3CC3)C4=CN(C(=O)C5=C4C=CN5)C)C

DOS

IR

Vibrations