Geometry & MOs

Info

ID:	257049
PubChem CID:	103143317
Reduced:	FNOSH12C17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	297.062363
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	6.99
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations