Geometry & MOs

Info

ID:

396438

PubChem CID:

135028417

Reduced:

NSiO6C33H48 (1)

Stoich.:

ABC6D33E48 (1)

Weight, g/mol:

581.317265

ΔHf, kcal/mol:

-278.86

Dipole, Da:

3.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755379

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aS,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-3-[[tert-butyl(diphenyl)silyl]oxymethyl]but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@H]3C(C([NH2+]2)CC(C(=C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O)OC(O3)(C)C)C

DOS

IR

Vibrations