Geometry & MOs

Info

ID:	42418
PubChem CID:	8149534
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	361.169822
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	4.8
IP(EA), eV:	-7.9(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-[5-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations