Geometry & MOs

Info

ID:	36039
PubChem CID:	7980687
Reduced:	NO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-123.48
Dipole, Da:	3.39
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations