Geometry & MOs

Info

ID:	188492
PubChem CID:	77723740
Reduced:	NSCl2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-159.43
Dipole, Da:	6.7
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-4-phenylbut-1-enyl) benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CCNCC(C3=CC(=CC=C3)Cl)O)Cl

DOS

IR

Vibrations