Geometry & MOs

Info

ID:

222121

PubChem CID:

85294462

Reduced:

BrSN2O10C34H35 (1)

Stoich.:

ABC2D10E34F35 (1)

Weight, g/mol:

761.297986

ΔHf, kcal/mol:

-335.94

Dipole, Da:

4.98

IP(EA), eV:

 -8.46(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[7-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2C=C4C(=O)N(C(C(=O)N4)CC5=CC(=C(C(=C5Br)C)OC)OC(C)C)C(=O)C)OCO3)C

DOS

IR

Vibrations