Geometry & MOs

Info

ID:

392964

PubChem CID:

135018717

Reduced:

N3O11C40H49 (1)

Stoich.:

A3B11C40D49 (1)

Weight, g/mol:

582.057478

ΔHf, kcal/mol:

-389.46

Dipole, Da:

5.37

IP(EA), eV:

 -9.3(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4-diacetyloxy-5-(phenylmethoxycarbonylamino)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1[C@@H](C(O[C@H](C1NC(=O)OCC2=CC=CC=C2)O[C@@H]3C(C4C(C3OC)N=C(O4)N(C)C)COCC5=CC=CC=C5)COCC6=CC=CC=C6)O

DOS

IR

Vibrations