Geometry & MOs

Info

ID:	84809
PubChem CID:	49870031
Reduced:	SO3N6C15H20 (1)
Stoich.:	AB3C6D15E20 (1)
Weight, g/mol:	554.360739
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	4.99
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylcyclohexanecarbonyl)oxyethyl 5-tetradecoxyfuran-2-carboxylate

Drug info:

PubChemData

Smile

C1CC12CN(CCN2C(=O)CCS(=O)(=O)N)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations