Geometry & MOs

Info

ID:

445206

PubChem CID:

135264913

Reduced:

SCl2N3O6H23C25 (1)

Stoich.:

AB2C3D6E23F25 (1)

Weight, g/mol:

601.224657

ΔHf, kcal/mol:

-168.64

Dipole, Da:

6.83

IP(EA), eV:

 -9.08(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5E,7E)-N-(1,3-benzodioxol-5-yl)-N,5-dimethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-8-phenyldeca-5,7,9-trienamide

Drug info:

PubChemData

Smile

CN(C1=CC2=C(C=C1)OCO2)C(=O)[C@H](CCC3=CC=CC=C3)NC(=O)NS(=O)(=O)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations