Geometry & MOs

Info

ID:

299963

PubChem CID:

118043432

Reduced:

ClSF3O3N4H14C16 (1)

Stoich.:

ABC3D3E4F14G16 (1)

Weight, g/mol:

1005.345774

ΔHf, kcal/mol:

-164.05

Dipole, Da:

3.98

IP(EA), eV:

 -9.61(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-1-[6-[2-[(3-diphenylphosphanyl-4-methoxycarbonylbenzoyl)amino]ethylamino]-6-oxohexyl]-3,3-dimethyl-2-[(E)-5-methyl-4-methylidene-5-(2-methyl-5-sulfophenyl)hex-2-enylidene]indole-5-sulfonic acid

Drug info:

PubChemData

Smile

C#CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)CCS(=O)(=O)CC(F)(F)F

DOS

IR

Vibrations