Geometry & MOs

Info

ID:

439467

PubChem CID:

135229241

Reduced:

SF3N5C16H18 (1)

Stoich.:

AB3C5D16E18 (1)

Weight, g/mol:

630.435636

ΔHf, kcal/mol:

-69.39

Dipole, Da:

9.13

IP(EA), eV:

 -8.48(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3S,4R)-3-methoxy-N-[(3S)-2-methoxy-3-methyl-4-oxo-4-[[(2S)-1-phenylpropan-2-yl]amino]butyl]-5-methyl-4-[methyl-[2-(3-methylbutanoylamino)acetyl]amino]-N-propylhept-5-enamide

Drug info:

PubChemData

Smile

CCSC1=C(N=C(N1C)C2CC2)/N=C/C3=CN=C(C=C3N)C(F)(F)F

DOS

IR

Vibrations