Geometry & MOs

Info

ID:	182426
PubChem CID:	76888075
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	482.102479
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	3.66
IP(EA), eV:	-7.91(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CCO)C1=CC=C(C=C1)NC(=O)C(CCSC)N

DOS

IR

Vibrations