Geometry & MOs

Info

ID:	226047
PubChem CID:	87268554
Reduced:	O2F4N4H22C27 (1)
Stoich.:	A2B4C4D22E27 (1)
Weight, g/mol:	500.082511
ΔH_f, kcal/mol:	-198.27
Dipole, Da:	5.64
IP(EA), eV:	-8.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropanal

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=N/C(=C/3\C=CC=CC3=O)/N2)N4CC[C@H](C4)NC(=O)C5=CC(=C(C=C5)F)C(F)(F)F

DOS

IR

Vibrations