Geometry & MOs

Info

ID:	36030
PubChem CID:	7980665
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	371.072449
ΔH_f, kcal/mol:	-109.31
Dipole, Da:	5.81
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations