Geometry & MOs

Info

ID:	139562
PubChem CID:	52557868
Reduced:	SO2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	30.38
Dipole, Da:	1.65
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] hexanoate

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations