Geometry & MOs

Info

ID:	430018
PubChem CID:	135170075
Reduced:	N2F3O3H15C17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	334.10842
ΔH_f, kcal/mol:	-222.43
Dipole, Da:	4.92
IP(EA), eV:	-9.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-amino-5-[(3S)-3-(4-chlorophenyl)morpholin-4-yl]-2-ethenylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1COCC(N1C2=NC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations