Geometry & MOs

Info

ID:

441593

PubChem CID:

135236603

Reduced:

ClFO2S2N4H20C23 (1)

Stoich.:

ABC2D2E4F20G23 (1)

Weight, g/mol:

515.243164

ΔHf, kcal/mol:

-44.61

Dipole, Da:

6.96

IP(EA), eV:

 -8.71(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[(2-fluoro-4-methylphenyl)methylamino]-3-(3-formylphenoxy)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)CC4CCSS4

DOS

IR

Vibrations