Geometry & MOs

Info

ID:	156054
PubChem CID:	56368948
Reduced:	FS2O3N4C20H27 (1)
Stoich.:	AB2C3D4E20F27 (1)
Weight, g/mol:	467.220892
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	3.8
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations