Geometry & MOs

Info

ID:

147653

PubChem CID:

53787310

Reduced:

SN4O7C33H56 (1)

Stoich.:

AB4C7D33E56 (1)

Weight, g/mol:

652.386971

ΔHf, kcal/mol:

-300.07

Dipole, Da:

5.01

IP(EA), eV:

 -8.54(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=CC1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)OC(CNC(C)(C)C)COC2=NSN=C2N3CCOCC3)O)O)O

DOS

IR

Vibrations