Geometry & MOs

Info

ID:	308459
PubChem CID:	125333165
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	6.43
IP(EA), eV:	-9.24(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC(=C[C@H]([C@H]1/C=N\N2[C@H](N=C3C4=C(C=CC(=C4)OC)N=C3C2=O)O)C)C

DOS

IR

Vibrations