Geometry & MOs

Info

ID:

403271

PubChem CID:

135059463

Reduced:

N2O18C26H35 (1)

Stoich.:

A2B18C26D35 (1)

Weight, g/mol:

296.159642

ΔHf, kcal/mol:

-688.56

Dipole, Da:

9.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761412

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-hept-1-enyl]-hydroxy-diphenylsilane

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC[C@H]([C@H](C1[C@@H]([C@@H](C[C@@](O1)(C(=O)[O-])OC2[C@H](C(O[C@H](C2O)OC3=CC=C(C=C3)[N+](=O)[O-])CO)O)O)NC(=O)C)O)O)O

DOS

IR

Vibrations