Geometry & MOs

Info

ID:	63666
PubChem CID:	26758907
Reduced:	FNO4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	397.108086
ΔH_f, kcal/mol:	-152.96
Dipole, Da:	7.09
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations