Geometry & MOs

Info

ID:	335453
PubChem CID:	127254315
Reduced:	BSN2F4O4C15H21 (1)
Stoich.:	ABC2D4E4F15G21 (1)
Weight, g/mol:	326.103335
ΔH_f, kcal/mol:	-498.1
Dipole, Da:	9.8
IP(EA), eV:	-10.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1(C(OC(=C/C=[NH+]\C2=CC=C(C=C2)S(=O)(=O)N)O1)(C)C)C

DOS

IR

Vibrations