Geometry & MOs

Info

ID:	404214
PubChem CID:	135065483
Reduced:	OF4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	512.219889
ΔH_f, kcal/mol:	-173.4
Dipole, Da:	4.64
IP(EA), eV:	-9.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3aS,4S,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-ynoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC#CC(C2=CC=C(C=C2)F)(C(F)(F)F)O

DOS

IR

Vibrations