Geometry & MOs

Info

ID:	308224
PubChem CID:	125323604
Reduced:	FN2S2O4H11C20 (1)
Stoich.:	AB2C2D4E11F20 (1)
Weight, g/mol:	320.105545
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	7.79
IP(EA), eV:	-8.7(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-[(6S)-5-methyl-7-oxo-6H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

Drug info:

PubChemData

Smile

C1OC2=CC3=C[C@H](C(=O)N=C3C=C2O1)/C=C\4/C(=O)N(C(=S)S4)C5=CC=CC=C5F

DOS

IR

Vibrations