Geometry & MOs

Info

ID:

218487

PubChem CID:

85089524

Reduced:

ClO2N5C17H23 (1)

Stoich.:

AB2C5D17E23 (1)

Weight, g/mol:

472.340413

ΔHf, kcal/mol:

-35.39

Dipole, Da:

5.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760964

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8,11-bis(trimethylsilyloxy)octadec-9-enoate

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NC(=CC(=O)NC3=CC=C(C=C3)O)C4[NH+]2CNN4

DOS

IR

Vibrations