Geometry & MOs

Info

ID:	237973
PubChem CID:	92723333
Reduced:	S2N3O5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	373.055484
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	2.54
IP(EA), eV:	-9.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one

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