Geometry & MOs

Info

ID:	155830
PubChem CID:	56367720
Reduced:	F3O4N5H22C23 (1)
Stoich.:	A3B4C5D22E23 (1)
Weight, g/mol:	445.157246
ΔH_f, kcal/mol:	-232.46
Dipole, Da:	5.11
IP(EA), eV:	-10.16(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3)C(F)(F)F

DOS

IR

Vibrations