Geometry & MOs

Info

ID:	61147
PubChem CID:	26706119
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	324.066555
ΔH_f, kcal/mol:	-65.48
Dipole, Da:	7.26
IP(EA), eV:	-8.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-quinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)[C@@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations