Geometry & MOs

Info

ID:

441599

PubChem CID:

135236614

Reduced:

ClFO2S2N4H22C24 (1)

Stoich.:

ABC2D2E4F22G24 (1)

Weight, g/mol:

540.202027

ΔHf, kcal/mol:

-49.22

Dipole, Da:

10.12

IP(EA), eV:

 -8.45(-1.05)

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]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)CCC4CCSS4

DOS

IR

Vibrations