Geometry & MOs

Info

ID:	146147
PubChem CID:	53643630
Reduced:	SO9C17H30 (1)
Stoich.:	AB9C17D30 (1)
Weight, g/mol:	495.31373
ΔH_f, kcal/mol:	-437.53
Dipole, Da:	4.08
IP(EA), eV:	-10.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-4-heptylphenyl) 4-(4-heptylphenyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)(CC(CC(C)(C)C(=O)OCCS(=O)(=O)O)C(=O)OC)C(=O)OC

DOS

IR

Vibrations