Geometry & MOs

Info

ID:

440271

PubChem CID:

135230202

Reduced:

SN2O3C10H18 (1)

Stoich.:

AB2C3D10E18 (1)

Weight, g/mol:

640.424008

ΔHf, kcal/mol:

-142.87

Dipole, Da:

2.83

IP(EA), eV:

 -8.41(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(E)-1-(2,4-dimethylphenyl)-2-methylbut-1-enyl]-N-[(1Z)-1-[4-[3-(2-ethylhexoxy)-2-hydroxypropoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]ethyl]-2,4-dimethylbenzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1NC(=CS1)CO

DOS

IR

Vibrations