Geometry & MOs

Info

ID:	242339
PubChem CID:	96099871
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	5.46
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N1C(=NC2=CC=CC(=C21)C(=O)O)CNC

DOS

IR

Vibrations