Geometry & MOs

Info

ID:	440718
PubChem CID:	135231090
Reduced:	SN3O3H18C20 (2)
Stoich.:	AB3C3D18E20 (2)
Weight, g/mol:	254.22458
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	12.37
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclodecyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC2=CC(=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4)S(=O)(=O)C5=CC=C(C=C5)NC(=O)NCC6=CC=NC=C6

DOS

IR

Vibrations