Geometry & MOs

Info

ID:

191233

PubChem CID:

78121581

Reduced:

N2S2O8H24C27 (1)

Stoich.:

A2B2C8D24E27 (1)

Weight, g/mol:

612.156637

ΔHf, kcal/mol:

-217.64

Dipole, Da:

7.76

IP(EA), eV:

 -8.5(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamothioyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=S)NC(=O)C6=CC=CS6

DOS

IR

Vibrations