Geometry & MOs

Info

ID:	63496
PubChem CID:	26758488
Reduced:	NF4O4H13C17 (1)
Stoich.:	AB4C4D13E17 (1)
Weight, g/mol:	347.096914
ΔH_f, kcal/mol:	-321.39
Dipole, Da:	2.9
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations