Geometry & MOs

Info

ID:

164298

PubChem CID:

74382790

Reduced:

N3O7C31H39 (1)

Stoich.:

A3B7C31D39 (1)

Weight, g/mol:

620.270936

ΔHf, kcal/mol:

-259.87

Dipole, Da:

2.85

IP(EA), eV:

 -8.37(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[cyclohexylmethyl-[4-(trifluoromethyl)benzoyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N(CCC1=CNC2=CC=CC=C21)C3CC(C4C(C3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO

DOS

IR

Vibrations