Geometry & MOs

Info

ID:

1160

PubChem CID:

3875

Reduced:

NO9H27C30 (1)

Stoich.:

AB9C27D30 (1)

Weight, g/mol:

545.168581

ΔHf, kcal/mol:

-225.24

Dipole, Da:

10.98

IP(EA), eV:

 -7.66(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2,5,8,10,12,14,16,18-octaen-7-one

Drug info:

PubChemData

Smile

COC1=CC2=C3C(=C4C5=CC(=C(C(=C5CCN4C3=C(OC2=CC1=O)O)OC)OC)OC)C6=CC(=C(C=C6)O)OC

DOS

IR

Vibrations