Geometry & MOs

Info

ID:

310777

PubChem CID:

126587421

Reduced:

NSO3C21H27 (1)

Stoich.:

ABC3D21E27 (1)

Weight, g/mol:

959.385391

ΔHf, kcal/mol:

-60.19

Dipole, Da:

5.75

IP(EA), eV:

 -8.54(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[2-[2-[4-[[N-[[1-[2-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethoxy]ethyl]triazol-4-yl]methyl]anilino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C(C)C)N(C(=S)OC)O)C

DOS

IR

Vibrations