Geometry & MOs

Info

ID:

47574

PubChem CID:

10534485

Reduced:

N12O21C62H74 (1)

Stoich.:

A12B21C62D74 (1)

Weight, g/mol:

1324.478449

ΔHf, kcal/mol:

-516.99

Dipole, Da:

8.46

IP(EA), eV:

 -9.39(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[10-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]propyl]amino]decyl]amino]propyl]amino]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)COCC7=CC=CC=C7)OC)OC(=O)C)N=[N+]=[N-])OC(=O)C)N=[N+]=[N-])OC(=O)C)N=[N+]=[N-])COCC8=CC=CC=C8)OC)N=[N+]=[N-]

DOS

IR

Vibrations