Geometry & MOs

Info

ID:	34338
PubChem CID:	7890832
Reduced:	NO6H19C22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-185.81
Dipole, Da:	4.57
IP(EA), eV:	-8.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C=C3)O)OC1

DOS

IR

Vibrations