Geometry & MOs

Info

ID:	131972
PubChem CID:	51285307
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	7.57
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)NC3=CC=CC(=C3)C#N)C

DOS

IR

Vibrations