Geometry & MOs

Info

ID:	423975
PubChem CID:	135120916
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-151.93
Dipole, Da:	5.83
IP(EA), eV:	-10.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations