Geometry & MOs

Info

ID:	178832
PubChem CID:	76386780
Reduced:	SF3N3O4C31H48 (1)
Stoich.:	AB3C3D4E31F48 (1)
Weight, g/mol:	330.095082
ΔH_f, kcal/mol:	-378.63
Dipole, Da:	4.75
IP(EA), eV:	-9.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3,4-triacetyloxy-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1N)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)NC(=O)NS(=O)(=O)C(F)(F)F)C)C)C)C

DOS

IR

Vibrations