Geometry & MOs

Info

ID:	269541
PubChem CID:	103617916
Reduced:	ClSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	304.07693
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	9.36
IP(EA), eV:	-9.53(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(4-methylphenyl)sulfonylmethyl]benzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=O)CS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations