Geometry & MOs

Info

ID:	233126
PubChem CID:	87692437
Reduced:	AsClF5N5O5C22H24 (1)
Stoich.:	ABC5D5E5F22G24 (1)
Weight, g/mol:	484.160992
ΔH_f, kcal/mol:	-327.0
Dipole, Da:	9.37
IP(EA), eV:	-9.12(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N1C(=C(C(N2C1=NC=N2)[As])C3=C(C=C(C=C3F)OCCCNC)F)Cl.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations