Geometry & MOs

Info

ID:	159033
PubChem CID:	57244615
Reduced:	ClSF2N2O3C31H33 (1)
Stoich.:	ABC2D2E3F31G33 (1)
Weight, g/mol:	474.267114
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	2.62
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(9-prop-2-enylfluoren-9-yl)but-2-enyl]piperidin-4-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

COCC1=CC(=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)N3CC(C3=C)(C4=CC(=CC(=C4)F)F)S(=O)(=O)C)CN5CCCC5

DOS

IR

Vibrations