Geometry & MOs

Info

ID:	49393
PubChem CID:	11532962
Reduced:	ClN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	473.14455
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	7.77
IP(EA), eV:	-8.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3Cl)C(=O)CC(C2)(C)C)C)COCCN=[N+]=[N-]

DOS

IR

Vibrations