Geometry & MOs

Info

ID:	174875
PubChem CID:	75825837
Reduced:	SN3O5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	418.064371
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	2.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761033
Charge, e:	-1

Chem-info

IUPAC name:

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)ethanimidate

Drug info:

PubChemData

Smile

COC(=C1C(C(C(=NC1=O)SCC=C)C#N)C2=CC=CC=C2[N+](=O)[O-])[O-]

DOS

IR

Vibrations