Geometry & MOs

Info

ID:

219083

PubChem CID:

85090461

Reduced:

SN2O4C32H40 (1)

Stoich.:

AB2C4D32E40 (1)

Weight, g/mol:

548.280545

ΔHf, kcal/mol:

-130.7

Dipole, Da:

1.72

IP(EA), eV:

 -8.76(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methyl-1-phenylmethoxy-7-oxabicyclo[4.2.0]octan-3-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)(CCNC(=O)C3=CC=CC=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C

DOS

IR

Vibrations