Geometry & MOs

Info

ID:

169516

PubChem CID:

75114730

Reduced:

O12C17H18 (1)

Stoich.:

A12B17C18 (1)

Weight, g/mol:

498.200216

ΔHf, kcal/mol:

-434.84

Dipole, Da:

6.95

IP(EA), eV:

 -8.89(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-ethenyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-10,13-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-3(11),4,6,8,19-pentaen-14-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(C(C(C(C(=O)[O-])O)O)O)C(=O)[O-]

DOS

IR

Vibrations