Geometry & MOs

Info

ID:	151989
PubChem CID:	56310825
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	380.096141
ΔH_f, kcal/mol:	-51.77
Dipole, Da:	5.05
IP(EA), eV:	-7.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations