Geometry & MOs

Info

ID:	228793
PubChem CID:	87565793
Reduced:	FSN3O4C26H30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-121.29
Dipole, Da:	3.95
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(diethylamino)prop-2-enyl] prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=C(C=N1)/C=C\2/CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations