Geometry & MOs

Info

ID:

304452

PubChem CID:

124599421

Reduced:

ISN3O7H20C24 (1)

Stoich.:

ABC3D7E20F24 (1)

Weight, g/mol:

716.161071

ΔHf, kcal/mol:

-112.62

Dipole, Da:

1.02

IP(EA), eV:

 -9.0(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[[1-(3-nitrophenyl)sulfonylindol-3-yl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC=C(C=C3)OC)C(=O)/C(=C/C4=CC(=C(C(=C4)I)O)[N+](=O)[O-])/S2)C

DOS

IR

Vibrations