Geometry & MOs

Info

ID:	244156
PubChem CID:	99319124
Reduced:	FON2H11C13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	456.106768
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	3.5
IP(EA), eV:	-9.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=O)NCCNC(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations