Geometry & MOs

Info

ID:

305119

PubChem CID:

124766545

Reduced:

NO5C12H16 (2)

Stoich.:

AB5C12D16 (2)

Weight, g/mol:

666.05976

ΔHf, kcal/mol:

-407.44

Dipole, Da:

4.87

IP(EA), eV:

 -8.65(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S,6S,8S,12R)-7-bromo-1,14-dimethyl-4,10-bis(2-nitrophenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)N[C@@H]3[C@@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)N[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations