Geometry & MOs

Info

ID:	135876
PubChem CID:	51952056
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-34.75
Dipole, Da:	9.67
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methylbutan-2-yl]-2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)SCC(=O)N[C@@H](C)C3=CC4=C(C=C3)OCCO4)N=C1C)C

DOS

IR

Vibrations