Geometry & MOs

Info

ID:	278010
PubChem CID:	103832663
Reduced:	SO2N3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	3.64
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NOC(=N1)[C@H](CCSC)N)OC

DOS

IR

Vibrations