Geometry & MOs

Info

ID:	312234
PubChem CID:	126603748
Reduced:	SF2O4N6C34H40 (1)
Stoich.:	AB2C4D6E34F40 (1)
Weight, g/mol:	475.511701
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	8.66
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethylcyclooctadecyl)methyl]-2-pentylazocane

Drug info:

PubChemData

Smile

CC1(COC1)CC/C=C(\C#N)/C(=O)N2CCC[C@@H]2CN3C4=C(C=C(C=C4)C(=O)NCC(C)(C)C)N=C3NC(=O)C5=CC=C(S5)C(F)F

DOS

IR

Vibrations