Geometry & MOs

Info

ID:	231458
PubChem CID:	87573779
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	698.54854
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	3.53
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

didecanoyl 3,4-dioctylbenzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)SC1CCCC1(CC2=CN=C(C=C2)N)C(=O)O

DOS

IR

Vibrations