Geometry & MOs

Info

ID:	397579
PubChem CID:	135030416
Reduced:	O2F3S3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	345.116507
ΔH_f, kcal/mol:	-261.16
Dipole, Da:	6.63
IP(EA), eV:	-9.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-3-(4-methoxyphenyl)-2-phenylisoquinolin-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](CC(=O)C1)C2(SCCCS2)C(=O)SCC(F)(F)F

DOS

IR

Vibrations