Geometry & MOs

Info

ID:	153096
PubChem CID:	56312229
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	493.170513
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	5.21
IP(EA), eV:	-7.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CNC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations