Geometry & MOs

Info

ID:

16442

PubChem CID:

469262

Reduced:

N3O7H27C29 (1)

Stoich.:

A3B7C27D29 (1)

Weight, g/mol:

529.1849

ΔHf, kcal/mol:

-193.21

Dipole, Da:

2.33

IP(EA), eV:

 -8.66(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C7C(C(C(C(O7)CO)OC)O)O)C(=O)N(C4=O)C

DOS

IR

Vibrations