Geometry & MOs

Info

ID:	73446
PubChem CID:	48417724
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	9.26
Dipole, Da:	3.38
IP(EA), eV:	-8.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSCC(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations