Geometry & MOs

Info

ID:	444391
PubChem CID:	135262251
Reduced:	FN4O6H39C41 (1)
Stoich.:	AB4C6D39E41 (1)
Weight, g/mol:	279.056529
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	1.17
IP(EA), eV:	-8.68(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-4,8-dihydroxy-1-methyl-8,9-dihydro-7H-thieno[3,2-f]quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCCCCCC5=NC=C(C=C5)OC6=CC(=O)N(N=C6)C7CCC(=O)NC7=O

DOS

IR

Vibrations