Geometry & MOs

Info

ID:	419624
PubChem CID:	135108559
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	5.58
IP(EA), eV:	-8.82(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations