Geometry & MOs

Info

ID:	122129
PubChem CID:	50795962
Reduced:	SF2O2N5H17C20 (1)
Stoich.:	AB2C2D5E17F20 (1)
Weight, g/mol:	429.197631
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	10.34
IP(EA), eV:	-9.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-4-[7-(3,4-difluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNC(=O)CCCC2=NN=C3N2C=CN(C3=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations