Geometry & MOs

Info

ID:	63675
PubChem CID:	26758930
Reduced:	BrFNO4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	5.21
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations