Geometry & MOs

Info

ID:	43161
PubChem CID:	10318972
Reduced:	SO2N3F5H10C16 (1)
Stoich.:	AB2C3D5E10F16 (1)
Weight, g/mol:	403.143151
ΔH_f, kcal/mol:	-227.02
Dipole, Da:	2.85
IP(EA), eV:	-10.42(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-1-[2-(difluoromethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC(=CC=C3)F)F

DOS

IR

Vibrations