Geometry & MOs

Info

ID:	29632
PubChem CID:	835926
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	5.54
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxo-1-phenylpyridazin-3-yl) 2-phenylacetate

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)[C@H](C)OC2=CC=CC=C2

DOS

IR

Vibrations