Geometry & MOs

Info

ID:

440233

PubChem CID:

135230164

Reduced:

SN3O8C34H39 (1)

Stoich.:

AB3C8D34E39 (1)

Weight, g/mol:

1630.466835

ΔHf, kcal/mol:

-277.26

Dipole, Da:

15.54

IP(EA), eV:

 -8.36(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C3C=C(C(=O)OC3=C2)C4=NC5=CC=CC=C5O4)CCCC(=O)N(CCCC(=O)C)CCCS(=O)(=O)O)(C)C

DOS

IR

Vibrations