Geometry & MOs

Info

ID:	229916
PubChem CID:	87569504
Reduced:	SO7C13H16 (1)
Stoich.:	AB7C13D16 (1)
Weight, g/mol:	507.225702
ΔH_f, kcal/mol:	-271.17
Dipole, Da:	8.97
IP(EA), eV:	-10.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[2-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(CO2)C(=O)O

DOS

IR

Vibrations