Geometry & MOs

Info

ID:	85376
PubChem CID:	49874627
Reduced:	SN3O7C11H11 (1)
Stoich.:	AB3C7D11E11 (1)
Weight, g/mol:	260.060407
ΔH_f, kcal/mol:	-180.38
Dipole, Da:	4.55
IP(EA), eV:	-9.71(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-hydroxy-5-[(2-methylphenyl)methyl]benzaldehyde

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2N(C1=O)C)S(=O)(=O)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations