Geometry & MOs

Info

ID:	28055
PubChem CID:	825349
Reduced:	ClSO3N4H9C11 (1)
Stoich.:	ABC3D4E9F11 (1)
Weight, g/mol:	327.125929
ΔH_f, kcal/mol:	17.12
Dipole, Da:	2.24
IP(EA), eV:	-9.82(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-phenyl-2H-quinolin-1-yl] benzoate

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations