Geometry & MOs

Info

ID:	336936
PubChem CID:	127255943
Reduced:	NF2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	367.147846
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	3.74
IP(EA), eV:	-9.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aS,4R,6S,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1N)C2=CC(=C(C=C2)F)F.C1=CC=C(C=C1)[C@@H](C(=O)O)O

DOS

IR

Vibrations