Geometry & MOs

Info

ID:	297554
PubChem CID:	117621187
Reduced:	SCl2O3N5H21C23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	509.133317
ΔH_f, kcal/mol:	-16.11
Dipole, Da:	7.44
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(2,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]sulfonyl-3-methyl-1,2-benzoxazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(C=CC=N4)N=C3C5=C(C=NC=C5)Cl)Cl

DOS

IR

Vibrations