Geometry & MOs

Info

ID:	444840
PubChem CID:	135263703
Reduced:	O5C6H12 (1)
Stoich.:	A5B6C12 (1)
Weight, g/mol:	335.98196
ΔH_f, kcal/mol:	-160.95
Dipole, Da:	5.19
IP(EA), eV:	-9.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-bromophenyl)-2-(3-methoxyphenyl)sulfanylacetaldehyde

Drug info:

PubChemData

Smile

CC(=O)OOCCOCCO

DOS

IR

Vibrations