Geometry & MOs

Info

ID:	56641
PubChem CID:	17487288
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	381.115855
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	4.51
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)CNC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations