Geometry & MOs

Info

ID:	160428
PubChem CID:	57309776
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	394.072239
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	3.58
IP(EA), eV:	-8.52(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(benzenesulfonyl)acetyl]oxypropoxy]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=CN2CC3=CC=CC=C3)CCO

DOS

IR

Vibrations