Geometry & MOs

Info

ID:	63500
PubChem CID:	26758497
Reduced:	NF2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	364.042626
ΔH_f, kcal/mol:	-188.56
Dipole, Da:	3.84
IP(EA), eV:	-8.57(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations