Geometry & MOs

Info

ID:	63303
PubChem CID:	26750549
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	335.096914
ΔH_f, kcal/mol:	-134.79
Dipole, Da:	3.13
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations