Geometry & MOs

Info

ID:

406602

PubChem CID:

135078124

Reduced:

SiS2N3O7H39C40 (1)

Stoich.:

AB2C3D7E39F40 (1)

Weight, g/mol:

1035.277206

ΔHf, kcal/mol:

-195.86

Dipole, Da:

5.89

IP(EA), eV:

 -8.95(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[6-(1,3-benzoxazol-2-ylsulfanyl)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)oxan-3-yl]oxy-7-benzoyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC(C1O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)SC4=NC(=CS4)C5=CC=CC=N5)N6C(=O)C7=CC=CC=C7C6=O

DOS

IR

Vibrations