Geometry & MOs

Info

ID:	59019
PubChem CID:	24770333
Reduced:	SF3N3O4C17H22 (1)
Stoich.:	AB3C3D4E17F22 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-276.81
Dipole, Da:	11.24
IP(EA), eV:	-9.47(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl (E)-2-cyano-3-[(6-ethoxypyridazin-3-yl)methylamino]-3-methylsulfanylprop-2-enoate

Drug info:

PubChemData

Smile

CCOCCOC(=O)/C(=C(/C(C)C)\NCC1=CN=C(S1)OCC(F)(F)F)/C#N

DOS

IR

Vibrations