Geometry & MOs

Info

ID:	337232
PubChem CID:	127256797
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	292.025084
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	2.82
IP(EA), eV:	-8.87(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-oxo-1H-pyridin-3-yl) 2H-1,3-benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=C(C1=S)COC(=O)N2COC3=CC=CC=C32

DOS

IR

Vibrations