Geometry & MOs

Info

ID:	64912
PubChem CID:	29204186
Reduced:	OSN2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	342.09642
ΔH_f, kcal/mol:	53.52
Dipole, Da:	2.87
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations