Geometry & MOs

Info

ID:

214966

PubChem CID:

85083931

Reduced:

SN6O6C28H34 (1)

Stoich.:

AB6C6D28E34 (1)

Weight, g/mol:

655.191442

ΔHf, kcal/mol:

-159.5

Dipole, Da:

8.07

IP(EA), eV:

 -8.75(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,21-dihydroxy-13-[[6-(hydroxymethyl)pyridin-3-yl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

Drug info:

PubChemData

Smile

CC(=O)OS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCC4)C(=O)N

DOS

IR

Vibrations