Geometry & MOs

Info

ID:	366282
PubChem CID:	127319739
Reduced:	FSO3N4C18H21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	393.152493
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	7.69
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations