Geometry & MOs

Info

ID:

221836

PubChem CID:

85286193

Reduced:

N3O4C40H43 (1)

Stoich.:

A3B4C40D43 (1)

Weight, g/mol:

628.081585

ΔHf, kcal/mol:

-92.16

Dipole, Da:

5.41

IP(EA), eV:

 -8.83(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-phenylsulfanyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=CC(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations