Geometry & MOs

Info

ID:	257058
PubChem CID:	103143442
Reduced:	FNOSH14C17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	295.103085
ΔH_f, kcal/mol:	-19.06
Dipole, Da:	3.93
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-(4-methylphenyl)sulfanylethanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations