Geometry & MOs

Info

ID:

304349

PubChem CID:

124557209

Reduced:

FSN2O3H27C31 (1)

Stoich.:

ABC2D3E27F31 (1)

Weight, g/mol:

551.224263

ΔHf, kcal/mol:

-68.81

Dipole, Da:

5.21

IP(EA), eV:

 -9.12(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5S)-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-ylphenyl)-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)F)C(=O)/C(=C/C4=CC=C(C=C4)C(C)C)/S2)C5=CC=CC=C5

DOS

IR

Vibrations