Geometry & MOs

Info

ID:	22022
PubChem CID:	595365
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	5.7
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-quinolin-8-ylsulfanylpropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)SCC(CO)O)N=CC=C2

DOS

IR

Vibrations