Geometry & MOs

Info

ID:	182542
PubChem CID:	76902809
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	421.126026
ΔH_f, kcal/mol:	-25.29
Dipole, Da:	2.15
IP(EA), eV:	-8.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoropyridin-2-yl)methoxy]-1-(1-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridin-7-yl)pyridin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5

DOS

IR

Vibrations