Geometry & MOs

Info

ID:	406703
PubChem CID:	135078388
Reduced:	SO2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	348.095079
ΔH_f, kcal/mol:	33.22
Dipole, Da:	5.74
IP(EA), eV:	-8.34(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1S,2S)-2-(benzenesulfinyl)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)[C@]2(C(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations