Geometry & MOs

Info

ID:

392239

PubChem CID:

135013816

Reduced:

SiO5C22H40 (1)

Stoich.:

AB5C22D40 (1)

Weight, g/mol:

785.324729

ΔHf, kcal/mol:

-301.14

Dipole, Da:

3.2

IP(EA), eV:

 -8.97(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-7,12,17-tris(4-methylphenyl)-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene

Drug info:

PubChemData

Smile

CC1[C@H](CC[C@@]2([C@@H](O2)C[C@H](C1=O)C(=O)OC(C)(C)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations