Geometry & MOs

Info

ID:	63674
PubChem CID:	26758927
Reduced:	NF2O4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	445.0325
ΔH_f, kcal/mol:	-196.35
Dipole, Da:	6.36
IP(EA), eV:	-9.06(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations