Geometry & MOs

Info

ID:

448457

PubChem CID:

135291067

Reduced:

FO4N7C30H32 (1)

Stoich.:

AB4C7D30E32 (1)

Weight, g/mol:

659.356399

ΔHf, kcal/mol:

-58.17

Dipole, Da:

10.4

IP(EA), eV:

 -8.32(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[6-carboxy-2-(1-carboxy-2,2-dimethylpropyl)-5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4,4-dimethylheptanoyl]amino]propyl-dimethylazaniumyl]propane-1-sulfonate

Drug info:

PubChemData

Smile

C1CN(CCN1C2COC2)C3=CC=C(C=C3)NC4=NC(=NC=C4)C5=CC(=C(C=C5)O[C@@H]6CN(C[C@@H]6F)C(=O)CO)C#N

DOS

IR

Vibrations