Geometry & MOs

Info

ID:

141689

PubChem CID:

52917368

Reduced:

SF2N6O8C41H52 (1)

Stoich.:

AB2C6D8E41F52 (1)

Weight, g/mol:

1073.169368

ΔHf, kcal/mol:

-375.17

Dipole, Da:

5.67

IP(EA), eV:

 -9.52(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-chloro-9-propan-2-ylpurin-6-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanide;cyclobutane-1,1-dicarboxylate;platinum(4+)

Drug info:

PubChemData

Smile

C1CC/C=C/[C@@H]2C[C@]2(NC(=O)C3CN4C[C@@H]3OC5=NC6=CC=CC=C6N=C5C(CCCCC7(CCCC7)COC(=O)N[C@H](C4=O)CC1)(F)F)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations