Geometry & MOs

Info

ID:	226042
PubChem CID:	87256882
Reduced:	SO3F7C9H11 (1)
Stoich.:	AB3C7D9E11 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	-472.72
Dipole, Da:	4.48
IP(EA), eV:	-11.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[9H-fluoren-9-ylmethoxy(formyl)amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C1(C(C(C1(F)F)(F)F)(F)F)F)S(=O)(=O)O

DOS

IR

Vibrations