Geometry & MOs

Info

ID:	367785
PubChem CID:	127325821
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	328.11063
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	3.84
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCC2)NC(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations