Geometry & MOs

Info

ID:	208192
PubChem CID:	80503261
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	274.051109
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	3.01
IP(EA), eV:	-8.23(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydroxypropylsulfonyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)NCC2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations