Geometry & MOs

Info

ID:	307348
PubChem CID:	125299651
Reduced:	O8H20C27 (1)
Stoich.:	A8B20C27 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-207.04
Dipole, Da:	2.33
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2R)-2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]-2,4-dioxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/2\C(=O)C3=C(O2)C4=C(C=C3)OC(=O)C[C@@H]4C5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations