Geometry & MOs

Info

ID:	218496
PubChem CID:	85089535
Reduced:	SO4N5H19C24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	473.220223
ΔH_f, kcal/mol:	108.19
Dipole, Da:	2.24
IP(EA), eV:	-8.85(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[4-[2-(3-formylphenoxy)ethoxy]phenyl]-7-pyridin-3-ylhept-6-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C(=NN3C(=NN=C3S2)COC4=CC=C(C=C4)C)C5=CC=C(O5)[N+](=O)[O-]

DOS

IR

Vibrations