Geometry & MOs

Info

ID:	307614
PubChem CID:	125307750
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	234.068766
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	5.65
IP(EA), eV:	-9.03(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=N[C@@H](N(C(=O)C2=N1)C(C)C)SCC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations