Geometry & MOs

Info

ID:	58736
PubChem CID:	24714794
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	4.56
IP(EA), eV:	-8.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propyl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1)CC(COCC#C)O

DOS

IR

Vibrations