Geometry & MOs

Info

ID:

229727

PubChem CID:

87568673

Reduced:

NSiCl3H19C21 (2)

Stoich.:

ABC3D19E21 (2)

Weight, g/mol:

391.235873

ΔHf, kcal/mol:

-123.0

Dipole, Da:

0.69

IP(EA), eV:

 -8.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[[4-methoxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methylidene]hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC[Si](Cl)(Cl)Cl)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC=C(C=C4)NC5=CC=C(C=C5)C6=CC=CC=C6CCC[Si](Cl)(Cl)Cl

DOS

IR

Vibrations