Geometry & MOs

Info

ID:	401890
PubChem CID:	135053225
Reduced:	SO4H20C23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	378.240624
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	6.69
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-2-(2-oxotridecyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCC(C2=O)(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations