Geometry & MOs

Info

ID:

221626

PubChem CID:

85285744

Reduced:

ON2C18H21 (2)

Stoich.:

AB2C18D21 (2)

Weight, g/mol:

563.218903

ΔHf, kcal/mol:

44.83

Dipole, Da:

3.12

IP(EA), eV:

 -8.15(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5,9,18-trihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl propane-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)N=CCCCCC(C(CCCCC=NN(C3=CC=CC=C3)C4=CC=CC=C4)O)O

DOS

IR

Vibrations