Geometry & MOs

Info

ID:

440229

PubChem CID:

135230160

Reduced:

FS4N5O8H56C57 (1)

Stoich.:

AB4C5D8E56F57 (1)

Weight, g/mol:

1174.340752

ΔHf, kcal/mol:

-157.72

Dipole, Da:

3.98

IP(EA), eV:

 -9.37(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[2-[5-[[1,3-benzodioxol-5-ylmethyl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]methyl]-2-methoxyphenoxy]ethoxy]phenyl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C4=CC(=NC=C4)CN(CC5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)S(=O)(=O)N(CC)CC7=CC=CC=C7)CC8=CC=CC=C8F

DOS

IR

Vibrations