Geometry & MOs

Info

ID:	17026
PubChem CID:	482414
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	382.098728
ΔH_f, kcal/mol:	-81.56
Dipole, Da:	4.98
IP(EA), eV:	-8.55(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(7-methylsulfanyl-5,8-dioxoquinolin-6-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC=C(C=C3)CCCC(=O)O

DOS

IR

Vibrations