Geometry & MOs

Info

ID:	43020
PubChem CID:	10317794
Reduced:	SN3O5H13C18 (1)
Stoich.:	AB3C5D13E18 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-70.89
Dipole, Da:	2.03
IP(EA), eV:	-10.05(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2-ethyl-4-(naphthalen-2-ylamino)-6-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@@H]1CC2=C([C@@H]1N=[N+]=[N-])C=CC3=C2C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations