Geometry & MOs

Info

ID:

168296

PubChem CID:

74947302

Reduced:

O4N5C18H19 (1)

Stoich.:

A4B5C18D19 (1)

Weight, g/mol:

1030.711323

ΔHf, kcal/mol:

-58.78

Dipole, Da:

6.31

IP(EA), eV:

 -9.71(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8-[tert-butyl(dimethyl)silyl]oxy-13-(2-dodecyl-3-phenylmethoxy-3,6-dihydro-2H-pyran-6-yl)-2-[(4-methoxyphenyl)methoxy]-13-triethylsilyloxytridec-3-enyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

C1C(C(OC1N2C(=NC3C2=NC(=NC3=O)N)C=CC4=CC=CC=C4)CO)O

DOS

IR

Vibrations