Geometry & MOs

Info

ID:

164056

PubChem CID:

74381697

Reduced:

N2O8C27H38 (1)

Stoich.:

A2B8C27D38 (1)

Weight, g/mol:

558.237744

ΔHf, kcal/mol:

-325.12

Dipole, Da:

2.69

IP(EA), eV:

 -8.84(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methyl-(oxolane-2-carbonyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-1-carboxamide

Drug info:

PubChemData

Smile

CCC=CC(=O)N(CC1CCCO1)C2CC(C3C(C2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO

DOS

IR

Vibrations