Geometry & MOs

Info

ID:	49666
PubChem CID:	11533496
Reduced:	SO3N8C24H24 (1)
Stoich.:	AB3C8D24E24 (1)
Weight, g/mol:	504.183127
ΔH_f, kcal/mol:	32.78
Dipole, Da:	4.56
IP(EA), eV:	-8.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)NCC3=CC=CO3)SC4=CC=C(C=C4)NC(=O)C5CC5

DOS

IR

Vibrations