Geometry & MOs

Info

ID:

225642

PubChem CID:

87219115

Reduced:

ClFSN3O4H27C29 (1)

Stoich.:

ABCD3E4F27G29 (1)

Weight, g/mol:

556.208863

ΔHf, kcal/mol:

-132.62

Dipole, Da:

2.05

IP(EA), eV:

 -9.05(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-butyl-4-chloro-5-[[2-(hydroxyamino)-2-oxoethyl]-(2-phenylethyl)carbamoyl]imidazol-1-yl]methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCOC1=NC=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)F)C(=O)N[C@H](CC4=CC(=CC=C4)Cl)CS

DOS

IR

Vibrations