Geometry & MOs

Info

ID:	307340
PubChem CID:	125299625
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	4.39
IP(EA), eV:	-8.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(2H-indol-3-yl)-1-[(2S)-2-methylsulfanyl-2,3-dihydro-1,3,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H]2[C@@H]([C@H]3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations