Geometry & MOs

Info

ID:

448495

PubChem CID:

135291364

Reduced:

O2S2N3H17C19 (1)

Stoich.:

A2B2C3D17E19 (1)

Weight, g/mol:

2064.256449

ΔHf, kcal/mol:

39.51

Dipole, Da:

6.28

IP(EA), eV:

-8.55(-0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2,4,8,10-tetratert-butyl-6-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-methyl-6-[[9-[2-methyl-2-[4,8,10-tritert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(4-methoxy-1,3,2-benzodioxaphosphol-2-yl)oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepin-2-yl]propyl]-2,4-dioxa-3-phosphaspiro[5.5]undecan-3-yl]oxy]phenyl]-3-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine

Drug info:

PubChemData

Smile

CN=C(NC1=NC2=CC=CC=C2S1)S/C(=C/C3=CC=C(C=C3)OC)/C=O

DOS

IR

Vibrations