Geometry & MOs

Info

ID:	122579
PubChem CID:	50812999
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	428.105146
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	4.48
IP(EA), eV:	-8.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopyridazin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)CN2C(=O)C(=CC(=N2)C3=CC=C(C=C3)Cl)NC(=O)C

DOS

IR

Vibrations