Geometry & MOs

Info

ID:	242367
PubChem CID:	96099899
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	4.15
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)[C@@H]3CSC4=CC=CC=C34

DOS

IR

Vibrations