Geometry & MOs

Info

ID:

214709

PubChem CID:

85083448

Reduced:

Si2N5O7C25H43 (1)

Stoich.:

A2B5C7D25E43 (1)

Weight, g/mol:

583.00388

ΔHf, kcal/mol:

-397.39

Dipole, Da:

4.66

IP(EA), eV:

 -8.83(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-dichloro-4-[4-[2-(3-hydroxypropylamino)pyrimidin-4-yl]-5-(3-iodophenyl)imidazolidin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)[Si]1(OCC2C(C(C(O2)N3C4=NC(=NC(=O)C4N(C3=O)CC=C)N)O)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations