Geometry & MOs

Info

ID:	268281
PubChem CID:	103598709
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-fluorophenyl)-3-(3-pyridin-4-ylprop-2-enoylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C=CC3=CSC(=N3)C

DOS

IR

Vibrations