Geometry & MOs

Info

ID:

380347

PubChem CID:

134970762

Reduced:

NSSiO5C23H39 (1)

Stoich.:

ABCD5E23F39 (1)

Weight, g/mol:

569.284251

ΔHf, kcal/mol:

-256.5

Dipole, Da:

5.09

IP(EA), eV:

 -8.71(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-(benzenesulfonyl)-3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C([C@H](C[C@H]2C[C@H]2O[Si](C)(C)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3)N)C

DOS

IR

Vibrations