Geometry & MOs

Info

ID:

435041

PubChem CID:

135178531

Reduced:

S2N5O9C42H53 (1)

Stoich.:

A2B5C9D42E53 (1)

Weight, g/mol:

679.289365

ΔHf, kcal/mol:

-327.56

Dipole, Da:

5.02

IP(EA), eV:

 -8.69(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 1-O-[2-(4-tritylpiperazine-1-carbonyl)oxyethyl] butanedioate

Drug info:

PubChemData

Smile

CCNC(=O)OCCSSCCOC(=O)N1CCN(CC1)C(=O)CCC(=O)OCCOC(=O)N2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations