Geometry & MOs

Info

ID:	157091
PubChem CID:	56422114
Reduced:	SN4O4C16H16 (1)
Stoich.:	AB4C4D16E16 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	6.52
IP(EA), eV:	-8.82(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CS3

DOS

IR

Vibrations