Geometry & MOs

Info

ID:	416256
PubChem CID:	135089268
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-148.54
Dipole, Da:	2.77
IP(EA), eV:	-9.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC[C@@]2(C1)CCC[C@H]2O

DOS

IR

Vibrations