Geometry & MOs

Info

ID:	350128
PubChem CID:	127277206
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	395.167891
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	6.19
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations