Geometry & MOs

Info

ID:	147567
PubChem CID:	53787223
Reduced:	ClC19H27 (1)
Stoich.:	AB19C27 (1)
Weight, g/mol:	412.170831
ΔH_f, kcal/mol:	-19.73
Dipole, Da:	2.37
IP(EA), eV:	-8.99(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzoyloxy-3-hept-1-enylsulfanylpropyl) benzoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C=CCl

DOS

IR

Vibrations