Geometry & MOs

Info

ID:	60907
PubChem CID:	26703033
Reduced:	ClSN4O4H21C22 (1)
Stoich.:	ABC4D4E21F22 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	6.61
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations