Geometry & MOs

Info

ID:

214965

PubChem CID:

85083930

Reduced:

SCl2N6O6C28H36 (1)

Stoich.:

AB2C6D6E28F36 (1)

Weight, g/mol:

582.226054

ΔHf, kcal/mol:

-244.31

Dipole, Da:

12.5

IP(EA), eV:

 -9.27(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3-carbamimidoylphenyl)prop-2-enyl-[3-carbamoyl-4-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxyphenyl]sulfamoyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCC4)C(=O)N.Cl.Cl

DOS

IR

Vibrations