Geometry & MOs

Info

ID:	78289
PubChem CID:	49684295
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	395.143426
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	8.09
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations