Geometry & MOs

Info

ID:	200228
PubChem CID:	79366552
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	348.00086
ΔH_f, kcal/mol:	-211.26
Dipole, Da:	4.47
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoro-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)(C1=CC=C(C=C1)OC)O)F

DOS

IR

Vibrations