Geometry & MOs

Info

ID:	63889
PubChem CID:	26759425
Reduced:	NF2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	439.04306
ΔH_f, kcal/mol:	-257.14
Dipole, Da:	5.91
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations