Geometry & MOs

Info

ID:	136871
PubChem CID:	52116414
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	2.52
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NN(C(=O)C=C2)CCC(=O)NCC3=CC=CS3

DOS

IR

Vibrations