Geometry & MOs

Info

ID:

54660

PubChem CID:

17389057

Reduced:

BrSN2O5H23C25 (1)

Stoich.:

ABC2D5E23F25 (1)

Weight, g/mol:

545.125671

ΔHf, kcal/mol:

-116.53

Dipole, Da:

6.15

IP(EA), eV:

 -8.7(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-5-(3-methoxyphenyl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)/C(=C\C4=C(C=CC(=C4)Br)OC)/S2)C

DOS

IR

Vibrations