Geometry & MOs

Info

ID:

45107

PubChem CID:

10508076

Reduced:

NO10C34H35 (1)

Stoich.:

AB10C34D35 (1)

Weight, g/mol:

618.163179

ΔHf, kcal/mol:

-351.81

Dipole, Da:

5.87

IP(EA), eV:

 -9.5(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (2R,4S)-2-[(2S)-2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-4-acetylsulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@@H](C(=O)OCC2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations