Geometry & MOs

Info

ID:	68970
PubChem CID:	46514393
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	487.165366
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	6.21
IP(EA), eV:	-9.06(-0.85)
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-propylphenyl)-thiophen-2-ylmethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

DOS

IR

Vibrations