Geometry & MOs

Info

ID:	135418
PubChem CID:	51869389
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	441.135842
ΔH_f, kcal/mol:	-165.24
Dipole, Da:	11.27
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-N-(4-phenylmethoxyphenyl)-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC(=O)[O-]

DOS

IR

Vibrations