Geometry & MOs

Info

ID:	360844
PubChem CID:	127301498
Reduced:	SN2O4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	326.075885
ΔH_f, kcal/mol:	-126.94
Dipole, Da:	3.1
IP(EA), eV:	-9.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCOC(C2)(C)C

DOS

IR

Vibrations