Geometry & MOs

Info

ID:	179489
PubChem CID:	76490244
Reduced:	O5C22H30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	549.122212
ΔH_f, kcal/mol:	-206.2
Dipole, Da:	5.17
IP(EA), eV:	-9.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)C=CC1C(CCC1OCC2=CC=CC=C2)C(C(=O)O)O

DOS

IR

Vibrations