Geometry & MOs

Info

ID:	271936
PubChem CID:	103702970
Reduced:	FOSN2C10H15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	4.44
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(6-nitroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)F)NCCSCCCO

DOS

IR

Vibrations