Geometry & MOs

Info

ID:	237972
PubChem CID:	92723332
Reduced:	S2N3O5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	397.076613
ΔH_f, kcal/mol:	-144.89
Dipole, Da:	3.6
IP(EA), eV:	-9.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

DOS

IR

Vibrations