Geometry & MOs

Info

ID:

323223

PubChem CID:

126673712

Reduced:

O2N7C26H31 (1)

Stoich.:

A2B7C26D31 (1)

Weight, g/mol:

562.02772

ΔHf, kcal/mol:

-1.4

Dipole, Da:

5.37

IP(EA), eV:

 -8.72(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-hydroxy-3-iodo-5-methoxyphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1NC)N2CCN(CC2)CC3=CC4=C(C5=CC=CN5C(=O)N4)N=C3)C(=O)N

DOS

IR

Vibrations