Geometry & MOs

Info

ID:

219722

PubChem CID:

85164678

Reduced:

SSiO6C31H44 (1)

Stoich.:

ABC6D31E44 (1)

Weight, g/mol:

573.243478

ΔHf, kcal/mol:

-212.74

Dipole, Da:

1.52

IP(EA), eV:

 -8.46(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 9-[3-[bis(prop-2-enoxycarbonylamino)methylideneamino]propanoyl]-3-(1-hydroxyethyl)-4-oxo-5,9-diazatricyclo[5.4.0.02,5]undec-6-ene-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C#CC=CC#CC(C)(C(=CCO)SC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)OCOC

DOS

IR

Vibrations