Geometry & MOs

Info

ID:	308453
PubChem CID:	125333150
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	1.27
Dipole, Da:	2.43
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1H-indazol-3-yl)-5-oxo-N-[(2R)-2-propyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H]1NN=C(S1)NC(=O)[C@H]2CC(=O)N(C2)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations