Geometry & MOs

Info

ID:

170414

PubChem CID:

75230676

Reduced:

O2C11H16 (2)

Stoich.:

A2B11C16 (2)

Weight, g/mol:

717.1468

ΔHf, kcal/mol:

-185.65

Dipole, Da:

5.96

IP(EA), eV:

 -8.78(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-3-[2-[2-[2-[2-[3-[1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-1,3-diazinan-5-yl]prop-2-ynoxy]ethoxy]ethoxy]-5-methoxyphenyl]ethyl]thiourea

Drug info:

PubChemData

Smile

CCCCCCCC(=O)CC1CC2=C(COC(=C2)C=CC)C(=O)C1(C)O

DOS

IR

Vibrations