Geometry & MOs

Info

ID:	62417
PubChem CID:	26719695
Reduced:	SCl2O2N3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	393.141259
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	7.85
IP(EA), eV:	-8.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations