Geometry & MOs

Info

ID:	321596
PubChem CID:	126666661
Reduced:	ClOSN5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	46.41
Dipole, Da:	3.87
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4S)-2-methyloxan-4-yl]-3-nitro-1,5-naphthyridin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=NN=C(S5)C

DOS

IR

Vibrations