Geometry & MOs

Info

ID:	360770
PubChem CID:	127301415
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	363.071134
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	2.41
IP(EA), eV:	-8.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations