Geometry & MOs

Info

ID:

376719

PubChem CID:

134222744

Reduced:

ClFO3N5H23C26 (1)

Stoich.:

ABC3D5E23F26 (1)

Weight, g/mol:

590.354433

ΔHf, kcal/mol:

-73.55

Dipole, Da:

6.38

IP(EA), eV:

 -9.4(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-amino-3-[2-(4-methylheptan-4-ylsulfanyl)ethylimino]propyl]disulfanyl]-N'-[2-[2-(3-methylhexan-3-yl)cyclobutyl]sulfanylethyl]propanimidamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(=CC1)C2=CC3=C(C(=C2)F)N=CN(C3=O)CC(=O)N(C)CC4=CC(=C(C=C4)C#N)Cl

DOS

IR

Vibrations