Geometry & MOs

Info

ID:	78295
PubChem CID:	49684331
Reduced:	FSN3O3C20H28 (1)
Stoich.:	ABC3D3E20F28 (1)
Weight, g/mol:	411.138341
ΔH_f, kcal/mol:	-129.55
Dipole, Da:	4.59
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CC=CN3C)F

DOS

IR

Vibrations