Geometry & MOs

Info

ID:

218729

PubChem CID:

85089878

Reduced:

Cl2O3N4C25H26 (1)

Stoich.:

A2B3C4D25E26 (1)

Weight, g/mol:

501.1536

ΔHf, kcal/mol:

-41.38

Dipole, Da:

5.84

IP(EA), eV:

 -8.49(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,13,17-triazahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18,20,22-nonaene-12,14-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C=NNC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl

DOS

IR

Vibrations