Geometry & MOs

Info

ID:	360813
PubChem CID:	127301458
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	5.25
IP(EA), eV:	-8.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations