Geometry & MOs

Info

ID:	418466
PubChem CID:	135104983
Reduced:	NSO7C14H17 (1)
Stoich.:	ABC7D14E17 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-266.25
Dipole, Da:	7.79
IP(EA), eV:	-9.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations