Geometry & MOs

Info

ID:	158444
PubChem CID:	56463654
Reduced:	SCl2N2O4C17H22 (1)
Stoich.:	AB2C2D4E17F22 (1)
Weight, g/mol:	407.123895
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	7.89
IP(EA), eV:	-9.82(-0.98)
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-(2-ethylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations