Geometry & MOs

Info

ID:

141173

PubChem CID:

52830178

Reduced:

N3O5C27H33 (1)

Stoich.:

A3B5C27D33 (1)

Weight, g/mol:

471.146407

ΔHf, kcal/mol:

-162.95

Dipole, Da:

1.46

IP(EA), eV:

 -8.02(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)[C@H]3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations