Geometry & MOs

Info

ID:	70659
PubChem CID:	48413671
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	3.14
IP(EA), eV:	-9.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations