Geometry & MOs

Info

ID:	37455
PubChem CID:	8021295
Reduced:	FNSO5C15H16 (1)
Stoich.:	ABCD5E15F16 (1)
Weight, g/mol:	365.063027
ΔH_f, kcal/mol:	-226.61
Dipole, Da:	6.86
IP(EA), eV:	-10.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations