Geometry & MOs

Info

ID:	151716
PubChem CID:	56269943
Reduced:	ClFSN3O3C23H29 (1)
Stoich.:	ABCD3E3F23G29 (1)
Weight, g/mol:	428.141532
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	4.13
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations