Geometry & MOs

Info

ID:	63267
PubChem CID:	26750415
Reduced:	ClNF3O5H19C21 (1)
Stoich.:	ABC3D5E19F21 (1)
Weight, g/mol:	387.148201
ΔH_f, kcal/mol:	-318.6
Dipole, Da:	3.97
IP(EA), eV:	-8.67(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations