Geometry & MOs

Info

ID:	63443
PubChem CID:	26758357
Reduced:	F2N2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	339.047377
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	4.98
IP(EA), eV:	-9.81(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations