Geometry & MOs

Info

ID:

16588

PubChem CID:

473333

Reduced:

SN3O5C29H35 (1)

Stoich.:

AB3C5D29E35 (1)

Weight, g/mol:

537.229742

ΔHf, kcal/mol:

-152.8

Dipole, Da:

3.58

IP(EA), eV:

 -8.23(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-1-methylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC[C@]1(CC(=O)C(=C(O1)O)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)CCC4=CC=CC=C4

DOS

IR

Vibrations