Geometry & MOs

Info

ID:	308018
PubChem CID:	125311823
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	349.095023
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	4.74
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(4R)-6-acetyl-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)C2=C(N1CC(=O)N[C@H](CC3=C4C=CC=CC4=NC3)C(=O)O)C=CC(=C2)Cl

DOS

IR

Vibrations