Geometry & MOs

Info

ID:	169192
PubChem CID:	75073630
Reduced:	SF3N3O3C20H28 (1)
Stoich.:	AB3C3D3E20F28 (1)
Weight, g/mol:	210.052823
ΔH_f, kcal/mol:	-266.02
Dipole, Da:	5.02
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N(C)CCN(C)C3=NC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations