Geometry & MOs

Info

ID:	157526
PubChem CID:	56435537
Reduced:	SO3N4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	4.71
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NC2=CC(=NN2C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations