Geometry & MOs

Info

ID:	413149
PubChem CID:	135086093
Reduced:	O4C29H32 (1)
Stoich.:	A4B29C32 (1)
Weight, g/mol:	308.027393
ΔH_f, kcal/mol:	-42.99
Dipole, Da:	5.15
IP(EA), eV:	-9.21(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylacetaldehyde

Drug info:

PubChemData

Smile

CC(C)(C#CC(=O)CCCC(=O)C#CC(C)(C)OCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations