Geometry & MOs

Info

ID:	63501
PubChem CID:	26758498
Reduced:	ClF2N2O3H11C17 (1)
Stoich.:	AB2C2D3E11F17 (1)
Weight, g/mol:	364.042626
ΔH_f, kcal/mol:	-154.54
Dipole, Da:	9.26
IP(EA), eV:	-9.47(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations