Geometry & MOs

Info

ID:

440243

PubChem CID:

135230174

Reduced:

Cl2S4O8N11C61H77 (1)

Stoich.:

A2B4C8D11E61F77 (1)

Weight, g/mol:

504.155278

ΔHf, kcal/mol:

-195.75

Dipole, Da:

2.65

IP(EA), eV:

 -9.06(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CNC1=NC=CC(=N1)CN(C2CCC(CC2)NCNC3=NC=CC(=N3)CN(CC4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)S(=O)(=O)N(CC6=CC=C(C=C6)Cl)C7CCCC7)S(=O)(=O)C8=CC=C(C=C8)S(=O)(=O)N(CC9=CC=C(C=C9)Cl)C1CCCC1

DOS

IR

Vibrations