Geometry & MOs

Info

ID:

218856

PubChem CID:

85090072

Reduced:

SN3O5C27H39 (1)

Stoich.:

AB3C5D27E39 (1)

Weight, g/mol:

517.25272

ΔHf, kcal/mol:

-219.48

Dipole, Da:

5.79

IP(EA), eV:

 -9.04(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)NCC(=O)OC)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C

DOS

IR

Vibrations