Geometry & MOs

Info

ID:	367108
PubChem CID:	127323201
Reduced:	SN2O3C19H30 (1)
Stoich.:	AB2C3D19E30 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-127.23
Dipole, Da:	6.17
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OCC3CCCCC3

DOS

IR

Vibrations