Geometry & MOs

Info

ID:	160212
PubChem CID:	57309558
Reduced:	SO2F5N6H15C23 (1)
Stoich.:	AB2C5D6E15F23 (1)
Weight, g/mol:	186.032837
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	3.26
IP(EA), eV:	-9.55(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-fluoro-4-hydroxyphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(S1)C(=O)O)N(C(=N2)C(C(F)(F)F)(F)F)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations