Geometry & MOs

Info

ID:

181348

PubChem CID:

76732701

Reduced:

N3O4C23H24 (1)

Stoich.:

A3B4C23D24 (1)

Weight, g/mol:

545.226966

ΔHf, kcal/mol:

-59.73

Dipole, Da:

4.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757081

Charge, e:

 0

Chem-info

IUPAC name:

2-morpholin-4-ylethyl 5-[3-[3-hydroxy-5-oxo-2-[(3-propan-2-ylphenyl)sulfanylmethyl]cyclopentyl]propyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=CC(=O)[N+](=C2COCC3=CC=CC=C3)CC4=CC(=CC=C4)OC)N1

DOS

IR

Vibrations