Geometry & MOs

Info

ID:	307872
PubChem CID:	125310281
Reduced:	ClSO3N4C24H25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	341.092417
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	4.69
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(7S)-2-(furan-2-yl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=C2C=CC=CC2=NC1)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations