Geometry & MOs

Info

ID:

16429

PubChem CID:

468973

Reduced:

SN3O5C32H33 (1)

Stoich.:

AB3C5D32E33 (1)

Weight, g/mol:

571.214092

ΔHf, kcal/mol:

-83.46

Dipole, Da:

3.82

IP(EA), eV:

 -8.8(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-cyano-N-[3-[cyclopropyl-[6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]methyl]phenyl]pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=NC=C(C=C4)C#N)CCC5=CC=CC=C5

DOS

IR

Vibrations