Geometry & MOs

Info

ID:	441795
PubChem CID:	135244857
Reduced:	Cl2N3O5C23H27 (1)
Stoich.:	A2B3C5D23E27 (1)
Weight, g/mol:	537.057146
ΔH_f, kcal/mol:	-213.65
Dipole, Da:	3.45
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]methyl]phenyl]methyl-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC=C(C=C3)NC(=O)NCCCC(C(O)O)C(=O)O

DOS

IR

Vibrations