Geometry & MOs

Info

ID:	34040
PubChem CID:	7889562
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	367.097521
ΔH_f, kcal/mol:	19.68
Dipole, Da:	2.43
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations