Geometry & MOs

Info

ID:

219613

PubChem CID:

85149505

Reduced:

ClFN2O8C31H32 (1)

Stoich.:

ABC2D8E31F32 (1)

Weight, g/mol:

513.239638

ΔHf, kcal/mol:

-302.9

Dipole, Da:

6.58

IP(EA), eV:

 -8.76(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-[(4-methylphenyl)sulfonylamino]hexanoate

Drug info:

PubChemData

Smile

CN(C)CC(=O)OC1=C(C=C(C=C1OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F)OC.Cl

DOS

IR

Vibrations