Geometry & MOs

Info

ID:	360780
PubChem CID:	127301425
Reduced:	SN2O5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	312.060235
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	5.77
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations