Geometry & MOs

Info

ID:

83667

PubChem CID:

49859801

Reduced:

PtN2O12C14H24 (1)

Stoich.:

AB2C12D14E24 (1)

Weight, g/mol:

1734.662688

ΔHf, kcal/mol:

-428.35

Dipole, Da:

3.24

IP(EA), eV:

 -9.65(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexyl-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;oxalic acid

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)O.C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.[Pt+2]

DOS

IR

Vibrations