Geometry & MOs

Info

ID:	63387
PubChem CID:	26758223
Reduced:	F2N2O5H14C19 (1)
Stoich.:	A2B2C5D14E19 (1)
Weight, g/mol:	412.127051
ΔH_f, kcal/mol:	-239.8
Dipole, Da:	9.04
IP(EA), eV:	-9.23(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations