Geometry & MOs

Info

ID:

375762

PubChem CID:

134221752

Reduced:

FSCl2N3O4C13H16 (1)

Stoich.:

ABC2D3E4F13G16 (1)

Weight, g/mol:

676.284339

ΔHf, kcal/mol:

-208.71

Dipole, Da:

2.53

IP(EA), eV:

 -9.81(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[2-[2-[[hydroxy-[(4R,5R)-5-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-[1,3]benzodioxolo[6,5-g][2,1]benzoxazol-4-yl]methyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CS(=NC(=O)N)(=O)C1=CC=C(C=C1)[C@H](C(CF)NC(=O)C(Cl)Cl)O

DOS

IR

Vibrations