Geometry & MOs

Info

ID:	419903
PubChem CID:	135109647
Reduced:	SN2O6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-252.59
Dipole, Da:	9.45
IP(EA), eV:	-9.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC)O

DOS

IR

Vibrations