Geometry & MOs

Info

ID:

177169

PubChem CID:

76143228

Reduced:

I3N3O17C35H44 (1)

Stoich.:

A3B3C17D35E44 (1)

Weight, g/mol:

424.264731

ΔHf, kcal/mol:

-593.36

Dipole, Da:

7.65

IP(EA), eV:

 -8.42(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-[2-[3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-3-hydroxy-5-sulfanylcyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CC(=O)OCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C23C(C4C(C(O2)OC(O4)(C)C)O)OC(O3)(C)C)I)NC(=O)C56C(C7C(C(O5)OC(O7)(C)C)O)OC(O6)(C)C)I

DOS

IR

Vibrations