Geometry & MOs

Info

ID:	46818
PubChem CID:	10527540
Reduced:	SN2O9H18C19 (1)
Stoich.:	AB2C9D18E19 (1)
Weight, g/mol:	450.179087
ΔH_f, kcal/mol:	-180.95
Dipole, Da:	5.42
IP(EA), eV:	-9.15(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(cyclopentyloxycarbonylamino)-1-methyl-4-oxoquinolin-2-yl]methyl]-3-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]([C@@H](C1=CC=C(C=C1)OC)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations