Geometry & MOs

Info

ID:	197309
PubChem CID:	78951435
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	307.98705
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	4.9
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(3-bromophenyl)sulfanylphenyl]ethanol

Drug info:

PubChemData

Smile

CCN1C(=O)NN=C1SC2=CC=CC=C2[C@@H](C)O

DOS

IR

Vibrations