Geometry & MOs

Info

ID:	165958
PubChem CID:	74619402
Reduced:	SO3N5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	319.128054
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	1.64
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-2-[[5-methyl-1-(6-oxo-3H-pyridazin-3-yl)pyrazole-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)SCC(=O)C2C(N(C(=O)NC2=O)CC(C)C)N

DOS

IR

Vibrations