Geometry & MOs

Info

ID:	188488
PubChem CID:	77723736
Reduced:	ClNSO5C32H32 (1)
Stoich.:	ABCD5E32F32 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	8.66
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxy-3-phenylprop-1-enyl) benzoate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)CCN(CC3=CC=CC=C3)CC(C4=CC(=CC=C4)Cl)O

DOS

IR

Vibrations