Geometry & MOs

Info

ID:	46354
PubChem CID:	10524021
Reduced:	F2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	383.034473
ΔH_f, kcal/mol:	-226.79
Dipole, Da:	3.9
IP(EA), eV:	-10.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(1S)-1-sulfooxy-2-thiocyanatoethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C(=O)OC[C@@H](C[C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)CO

DOS

IR

Vibrations