Geometry & MOs

Info

ID:

437620

PubChem CID:

135226727

Reduced:

FO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

511.173684

ΔHf, kcal/mol:

-167.44

Dipole, Da:

3.28

IP(EA), eV:

 -8.42(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[2-(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)ethylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@@H](CC3=C(C=C(C=C3)N4C5CCC4CN(C5)C6COC6)F)C#N

DOS

IR

Vibrations