Geometry & MOs

Info

ID:	441407
PubChem CID:	135234544
Reduced:	FSO2N8H23C31 (1)
Stoich.:	ABC2D8E23F31 (1)
Weight, g/mol:	390.088353
ΔH_f, kcal/mol:	122.59
Dipole, Da:	8.45
IP(EA), eV:	-8.92(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorofuro[3,2-c]pyridin-6-yl)methyl]-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC=NC3=N/C(=C\4/C5=C(C(=NC=C5NN4)C6=CC(=CN=C6)NC(CC7=CC=CC=C7)O)F)/N=C23

DOS

IR

Vibrations