Geometry & MOs

Info

ID:	69977
PubChem CID:	47206258
Reduced:	SN3O3C9H15 (1)
Stoich.:	AB3C3D9E15 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	-84.1
Dipole, Da:	6.03
IP(EA), eV:	-9.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)NCC2CCOC2

DOS

IR

Vibrations