Geometry & MOs

Info

ID:	381004
PubChem CID:	134971627
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	335.11217
ΔH_f, kcal/mol:	-200.52
Dipole, Da:	7.46
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(4-fluorophenyl)-1,4-dihydroisoquinolin-3-one

Drug info:

PubChemData

Smile

CC1=CCS(=O)(=O)C1CC(C2(C(=CC(=O)O2)N3CCCC3)C)O

DOS

IR

Vibrations