Geometry & MOs

Info

ID:	416428
PubChem CID:	135089441
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	5.55
IP(EA), eV:	-9.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations