Geometry & MOs

Info

ID:	355263
PubChem CID:	127288195
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	334.175339
ΔH_f, kcal/mol:	-23.64
Dipole, Da:	4.55
IP(EA), eV:	-9.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations