Geometry & MOs

Info

ID:	49579
PubChem CID:	11533303
Reduced:	NSO9C23H27 (1)
Stoich.:	ABC9D23E27 (1)
Weight, g/mol:	493.210052
ΔH_f, kcal/mol:	-270.41
Dipole, Da:	7.22
IP(EA), eV:	-8.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-[(Z)-3-(ethylamino)-3-hydroxyprop-2-enylidene]hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C\C(=O)NS(=O)(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations