Geometry & MOs

Info

ID:

158933

PubChem CID:

57244230

Reduced:

SN4O12C44H60 (1)

Stoich.:

AB4C12D44E60 (1)

Weight, g/mol:

440.01539

ΔHf, kcal/mol:

-489.48

Dipole, Da:

7.96

IP(EA), eV:

 -8.44(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[2-amino-3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC[C@@H](C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)C(C1=CC=CC=C1)[C@@H](C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)N)O)O)O)N(C(=O)[C@H](CSC)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations