Geometry & MOs

Info

ID:	78287
PubChem CID:	49684287
Reduced:	SF2O2N3C18H23 (1)
Stoich.:	AB2C2D3E18F23 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-132.55
Dipole, Da:	6.63
IP(EA), eV:	-8.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-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=CC=C3F)F

DOS

IR

Vibrations