Geometry & MOs

Info

ID:	63676
PubChem CID:	26758937
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	413.103
ΔH_f, kcal/mol:	-180.65
Dipole, Da:	6.17
IP(EA), eV:	-8.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations