Geometry & MOs

Info

ID:	45929
PubChem CID:	10519307
Reduced:	SF3O5C11H13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	314.172939
ΔH_f, kcal/mol:	-341.6
Dipole, Da:	5.14
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(4S,6R)-4-(3-acetyloxybutyl)-6-methoxyoxan-3-ylidene]acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F

DOS

IR

Vibrations