Geometry & MOs

Info

ID:	149020
PubChem CID:	53788691
Reduced:	ClSN2O7C15H17 (1)
Stoich.:	ABC2D7E15F17 (1)
Weight, g/mol:	410.282095
ΔH_f, kcal/mol:	-248.36
Dipole, Da:	9.4
IP(EA), eV:	-9.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pentylphenyl) 4-[(3R)-nonan-3-yl]oxybenzoate

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC(CO)O)S(=O)(=O)N)Cl

DOS

IR

Vibrations