Geometry & MOs

Info

ID:	413846
PubChem CID:	135086796
Reduced:	NO7C17H23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	324.082016
ΔH_f, kcal/mol:	-279.31
Dipole, Da:	3.39
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylacetaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(=O)C1=CC(=C(C=C1)OC)OC)C(=O)OC

DOS

IR

Vibrations