Geometry & MOs

Info

ID:

440272

PubChem CID:

135230203

Reduced:

N2O4C41H56 (1)

Stoich.:

A2B4C41D56 (1)

Weight, g/mol:

1003.242456

ΔHf, kcal/mol:

-159.81

Dipole, Da:

4.44

IP(EA), eV:

 -8.56(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[[4-[5-[[[4-[benzyl(ethyl)sulfamoyl]phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]pyridin-2-yl]methyl]-1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CCCCC(CC)COCC(COC1=CC(=O)/C(=C(/C)\NC(=N/C(=C(\C)/CC)/C2=C(C=C(C=C2)C)C)C3=C(C=C(C=C3)C)C)/C=C1)O

DOS

IR

Vibrations