Geometry & MOs

Info

ID:	44991
PubChem CID:	10507052
Reduced:	ClFSN2O6H24C27 (1)
Stoich.:	ABCD2E6F24G27 (1)
Weight, g/mol:	559.01807
ΔH_f, kcal/mol:	-218.92
Dipole, Da:	6.69
IP(EA), eV:	-9.03(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate

Drug info:

PubChemData

Smile

CCCC(C(=O)OCO/C(=C/1\C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)/C3=CC=CS3)OCC4=CC=CC=C4

DOS

IR

Vibrations