Geometry & MOs

Info

ID:	360817
PubChem CID:	127301462
Reduced:	S2O3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	298.044585
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	5.2
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonylmethyl)-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C

DOS

IR

Vibrations