Geometry & MOs

Info

ID:	139339
PubChem CID:	52512034
Reduced:	S2O3N4C14H22 (1)
Stoich.:	A2B3C4D14E22 (1)
Weight, g/mol:	449.125467
ΔH_f, kcal/mol:	-101.61
Dipole, Da:	2.09
IP(EA), eV:	-9.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

Drug info:

PubChemData

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C[C@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)SC2=NN=CS2

DOS

IR

Vibrations