Geometry & MOs

Info

ID:	73330
PubChem CID:	48417442
Reduced:	SN5O5C18H19 (1)
Stoich.:	AB5C5D18E19 (1)
Weight, g/mol:	330.144038
ΔH_f, kcal/mol:	-95.36
Dipole, Da:	9.5
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations