Geometry & MOs

Info

ID:	360794
PubChem CID:	127301439
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	312.060235
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	7.56
IP(EA), eV:	-9.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCC(CC2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations