Geometry & MOs

Info

ID:

144256

PubChem CID:

53338911

Reduced:

N3O3F9H28C29 (1)

Stoich.:

A3B3C9D28E29 (1)

Weight, g/mol:

530.061603

ΔHf, kcal/mol:

-533.12

Dipole, Da:

10.14

IP(EA), eV:

 -9.73(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)CC4=CC=NC=C4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations