Geometry & MOs

Info

ID:	78294
PubChem CID:	49684330
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	409.183541
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	4.29
IP(EA), eV:	-8.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-fluoro-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CCC(CC2)CNS(=O)(=O)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations