Geometry & MOs

Info

ID:

233593

PubChem CID:

91145558

Reduced:

O4C19H26 (3)

Stoich.:

A4B19C26 (3)

Weight, g/mol:

724.281838

ΔHf, kcal/mol:

-562.68

Dipole, Da:

4.27

IP(EA), eV:

 -8.45(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[1-anilino-2-[(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)methylsulfanyl]-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCCC(C1=C(C=C(C(=C1)C)O)C)C2=C(C=C(C(=C2)C)O)C.CC1=CC(=CC(=C1O)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC4=CC(=C(C(=C4)C)O)C

DOS

IR

Vibrations