Geometry & MOs

Info

ID:	126448
PubChem CID:	50965359
Reduced:	SN4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	375.105291
ΔH_f, kcal/mol:	95.6
Dipole, Da:	6.11
IP(EA), eV:	-8.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylsulfanylethyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)SCCN1C=NC(=C1C2=CN(N=C2)CC=C)C3=CC=CC=C3

DOS

IR

Vibrations