Geometry & MOs

Info

ID:	307802
PubChem CID:	125309431
Reduced:	OSN6C14H16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	316.11063
ΔH_f, kcal/mol:	116.7
Dipole, Da:	3.09
IP(EA), eV:	-8.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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

CC1=CC=C(O1)C2=NN=C(C2)C3=NN4[C@@H](NN=C4S3)C(C)C

DOS

IR

Vibrations