Geometry & MOs

Info

ID:	307346
PubChem CID:	125299647
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	35.56
Dipole, Da:	3.37
IP(EA), eV:	-9.33(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-oxo-N-quinolin-8-yl-5,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCS[C@@H]1N=NC2=NC3=C(C(=O)N12)C4(CCCC4)CC5=CC=CC=C53

DOS

IR

Vibrations