Geometry & MOs

Info

ID:	381072
PubChem CID:	134971703
Reduced:	NSO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	326.136553
ΔH_f, kcal/mol:	-110.17
Dipole, Da:	1.45
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethynyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)OC)COC(=O)C

DOS

IR

Vibrations