Geometry & MOs

Info

ID:	418739
PubChem CID:	135106672
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	348.14337
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	8.52
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(S2)CN3CCC(C3)(C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations