Geometry & MOs

Info

ID:	131740
PubChem CID:	51256683
Reduced:	S2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	335.067284
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	4.36
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-chlorophenyl)-3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)CNC3=NS(=O)(=O)C4=CC=CC=C43)SC=C2

DOS

IR

Vibrations