Geometry & MOs

Info

ID:	266590
PubChem CID:	103573820
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	260.071845
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	4.61
IP(EA), eV:	-8.47(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(4-methoxyphenyl)butane-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2C[C@H](C3=C(O2)C=CC(=C3)C)O

DOS

IR

Vibrations