Geometry & MOs

Info

ID:	78279
PubChem CID:	49684258
Reduced:	O2S2N3C16H23 (1)
Stoich.:	A2B2C3D16E23 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	6.57
IP(EA), eV:	-8.45(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CCC(CC2)CNS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations