Geometry & MOs

Info

ID:	447123
PubChem CID:	135280465
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	446.130028
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	4.41
IP(EA), eV:	-9.42(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-methylsulfonylindol-1-yl]azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C\C=C(\CN(C1=CC(=CC=C1)F)C(=O)C2=CC=NC=C2)/N=C)/C(=O)OC

DOS

IR

Vibrations