Geometry & MOs

Info

ID:	78280
PubChem CID:	49684259
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-48.21
Dipole, Da:	6.03
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CC=CN3C

DOS

IR

Vibrations