Geometry & MOs

Info

ID:	303510
PubChem CID:	124489839
Reduced:	SO2Cl4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	258.98441
ΔH_f, kcal/mol:	-17.0
Dipole, Da:	5.56
IP(EA), eV:	-10.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-(4-bromophenyl)-2-nitropropan-1-ol

Drug info:

PubChemData

Smile

C1[C@@H](C1(Cl)Cl)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3[C@H]4CC4(Cl)Cl

DOS

IR

Vibrations