Geometry & MOs

Info

ID:

304448

PubChem CID:

124598988

Reduced:

BrClSN2O6H28C32 (1)

Stoich.:

ABCD2E6F28G32 (1)

Weight, g/mol:

644.09957

ΔHf, kcal/mol:

-135.22

Dipole, Da:

6.51

IP(EA), eV:

 -8.68(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5R)-5-(4-chlorophenyl)-2-[[2-(2-ethoxy-2-oxoethoxy)naphthalen-1-yl]methylidene]-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=C(C=CC(=C3)OC)OC)C(=O)/C(=C/C4=CC(=C(C=C4)OCC5=CC=CC=C5Cl)Br)/S2)C

DOS

IR

Vibrations