Geometry & MOs

Info

ID:	312099
PubChem CID:	126603140
Reduced:	NC2O2P2H9 (1)
Stoich.:	AB2C2D2E9 (1)
Weight, g/mol:	636.222014
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	3.75
IP(EA), eV:	-9.8(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[7-[(3S)-3,4-dihydroxybutoxy]-6-methoxyquinolin-4-yl]oxypyridin-2-yl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C(NCP=O)P=O

DOS

IR

Vibrations