Geometry & MOs

Info

ID:	243183
PubChem CID:	99216626
Reduced:	SO4N6C18H22 (1)
Stoich.:	AB4C6D18E22 (1)
Weight, g/mol:	447.09768
ΔH_f, kcal/mol:	-80.71
Dipole, Da:	7.79
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NCCN2C(=O)N3C=CC=CC3=N2)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations