Geometry & MOs

Info

ID:	232498
PubChem CID:	87576326
Reduced:	OCl2N6C14H16 (1)
Stoich.:	AB2C6D14E16 (1)
Weight, g/mol:	786.233092
ΔH_f, kcal/mol:	23.91
Dipole, Da:	6.56
IP(EA), eV:	-8.74(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,4-bis[2-[2-[2-(4-nitrophenoxy)carbonyloxyethoxy]ethoxy]ethoxy]butan-2-yloxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C(=NN2C1)CN3CC(C4=C3N=C(N=C4Cl)N)CO)Cl

DOS

IR

Vibrations