Geometry & MOs

Info

ID:

323735

PubChem CID:

126675909

Reduced:

BrIP2S2O4C5H5 (1)

Stoich.:

ABC2D2E4F5G5 (1)

Weight, g/mol:

343.120192

ΔHf, kcal/mol:

-178.03

Dipole, Da:

5.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.273049

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R)-4-(6-amino-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2-methyl-2-methylsulfonylbutanoate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H](C(C(=O)O1)Br)OS#P)O[S-](#P)I

DOS

IR

Vibrations