Geometry & MOs

Info

ID:	396102
PubChem CID:	135027385
Reduced:	PSN3O3C14H16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	474.13195
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	6.87
IP(EA), eV:	-9.11(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-7-[(6-chloropyridin-3-yl)methyl]-6-nitro-5-phenyl-8,9-dihydro-5H-imidazo[1,2-a][1,8]naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N2C(=NC=N2)S1)C3=CC=CC=C3)OCC

DOS

IR

Vibrations