Geometry & MOs

Info

ID:	47090
PubChem CID:	10529501
Reduced:	ClNSO4H22C28 (1)
Stoich.:	ABCD4E22F28 (1)
Weight, g/mol:	466.073009
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	7.62
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6,7-dichloro-1-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-5-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(COC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations