Geometry & MOs

Info

ID:

318478

PubChem CID:

126651477

Reduced:

SN4O7C26H34 (1)

Stoich.:

AB4C7D26E34 (1)

Weight, g/mol:

519.178769

ΔHf, kcal/mol:

-131.9

Dipole, Da:

8.21

IP(EA), eV:

 -8.83(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-6-yl]penta-2,4-diynyl 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)CCO)(C(=O)NOC4CCCCO4)S(=O)(=O)C

DOS

IR

Vibrations