Geometry & MOs

Info

ID:	242381
PubChem CID:	96099913
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	8.13
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)C3=CSC(=N3)NC(=O)C

DOS

IR

Vibrations