Geometry & MOs

Info

ID:	63459
PubChem CID:	26758383
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	335.096914
ΔH_f, kcal/mol:	-218.63
Dipole, Da:	2.52
IP(EA), eV:	-8.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations