Geometry & MOs

Info

ID:

1161

PubChem CID:

3876

Reduced:

NO8H25C29 (1)

Stoich.:

AB8C25D29 (1)

Weight, g/mol:

515.158017

ΔHf, kcal/mol:

-190.5

Dipole, Da:

9.51

IP(EA), eV:

 -7.56(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17-trimethoxy-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=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C5=C(OC6=CC(=O)C(=CC6=C25)OC)O)OC)OC)O

DOS

IR

Vibrations