Geometry & MOs

Info

ID:	148122
PubChem CID:	53787784
Reduced:	N2O2S2C19H26 (1)
Stoich.:	A2B2C2D19E26 (1)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	3.12
IP(EA), eV:	-9.1(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)OSC1=NC(=NS1)C2=CC=CC=C2

DOS

IR

Vibrations