Geometry & MOs

Info

ID:	317518
PubChem CID:	126640381
Reduced:	BrSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	405.194008
ΔH_f, kcal/mol:	-155.37
Dipole, Da:	8.33
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-oxo-1-pentan-2-ylquinolin-3-yl)phenoxy]methyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCC2CCC3=C(O2)C=CC(=C3)Br

DOS

IR

Vibrations