Geometry & MOs

Info

ID:	307801
PubChem CID:	125309430
Reduced:	PN5O8C10H14 (1)
Stoich.:	AB5C8D10E14 (1)
Weight, g/mol:	316.11063
ΔH_f, kcal/mol:	-317.69
Dipole, Da:	8.55
IP(EA), eV:	-9.97(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-[5-(5-methylfuran-2-yl)-4H-pyrazol-3-yl]-3-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C1N=C2C(=NC(=NC2=O)N)N1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations