Geometry & MOs

Info

ID:	68608
PubChem CID:	46508755
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	446.113665
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	4.58
IP(EA), eV:	-8.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CC=C)C1=NC(=CS1)C2=CC=CC=C2)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations