Geometry & MOs

Info

ID:	416956
PubChem CID:	135090902
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-222.11
Dipole, Da:	6.75
IP(EA), eV:	-9.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxypyridin-3-yl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations