Geometry & MOs

Info

ID:	308461
PubChem CID:	125333169
Reduced:	SO2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	3.78
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(5-methyl-2H-indol-3-yl)ethyl]-5-oxo-N-[(2R)-2-pentyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC[C@H]1NN=C(S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=C4C=C(C=CC4=NC3)C

DOS

IR

Vibrations