Geometry & MOs

Info

ID:	190782
PubChem CID:	78056569
Reduced:	PS2O9H29C30 (1)
Stoich.:	AB2C9D29E30 (1)
Weight, g/mol:	438.279295
ΔH_f, kcal/mol:	-304.96
Dipole, Da:	7.08
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4,5-dibutoxy-6-(butoxymethyl)oxan-2-yl]-2,2-difluoroacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OC(CO)C3C(=C(C(=O)O3)OCC4=CC=CS4)OCC5=CC=CS5

DOS

IR

Vibrations