Geometry & MOs

Info

ID:

398576

PubChem CID:

135033999

Reduced:

OSN2H15C24 (2)

Stoich.:

ABC2D15E24 (2)

Weight, g/mol:

677.371396

ΔHf, kcal/mol:

264.93

Dipole, Da:

2.08

IP(EA), eV:

 -7.82(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R)-3-azido-2-tri(propan-2-yl)silyloxypropyl]-2-(benzenesulfonyl)-3-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-5-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C(SC=C1)C2=C3C(=C(C4=C2N=C5C6C7=CC=CC=C7C(C5=N4)C8=CC=CC=C68)C9=C(C=CS9)OC)N=C1C2C4=CC=CC=C4C(C1=N3)C1=CC=CC=C21

DOS

IR

Vibrations