Geometry & MOs

Info

ID:

400707

PubChem CID:

135048826

Reduced:

BSSiO2C31H61 (1)

Stoich.:

ABCD2E31F61 (1)

Weight, g/mol:

510.159831

ΔHf, kcal/mol:

-264.95

Dipole, Da:

0.99

IP(EA), eV:

 -8.56(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R)-4-N,5-N-bis(3-methylphenyl)-10'-oxospiro[1,3-dioxa-2-boranuidacyclopentane-2,3'-4-oxa-2-oxonia-3-boranuidatricyclo[7.3.1.05,13]trideca-1,5,7,9(13),11-pentaene]-4,5-dicarboxamide

Drug info:

PubChemData

Smile

B(C[C@@H]1C[C@H](CC[C@@H]1C(C)C)C)(C[C@@H]2C[C@H](CC[C@@H]2C(C)C)C)O/C(=C/O[Si](C)(C)C)/SC(C)(C)C

DOS

IR

Vibrations