Geometry & MOs

Info

ID:	244681
PubChem CID:	99376395
Reduced:	SO2N4H26C28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	22.68
Dipole, Da:	6.27
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-(5-methylthiophen-2-yl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)NCCC(=O)NCC5=CC=NC=C5

DOS

IR

Vibrations