Geometry & MOs

Info

ID:	34366
PubChem CID:	7890950
Reduced:	NS2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-69.28
Dipole, Da:	3.97
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)CC3=CC=CS3

DOS

IR

Vibrations