Geometry & MOs

Info

ID:	184514
PubChem CID:	77171928
Reduced:	ClN2O7C15H25 (1)
Stoich.:	AB2C7D15E25 (1)
Weight, g/mol:	470.151158
ΔH_f, kcal/mol:	-304.14
Dipole, Da:	2.29
IP(EA), eV:	-9.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-hydroxycyclopentyl)-7-methyl-3-[methylsulfonyl(phenyl)methyl]-4-oxo-1,8-naphthyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO.C1=CC(=CN=C1)Cl

DOS

IR

Vibrations