Geometry & MOs

Info

ID:	242365
PubChem CID:	96099897
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	6.57
IP(EA), eV:	-9.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-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

CC1=C(C(=NO1)C)CCC(=O)N2CCC[C@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations