Geometry & MOs

Info

ID:	219868
PubChem CID:	85164985
Reduced:	NS2O8C30H43 (1)
Stoich.:	AB2C8D30E43 (1)
Weight, g/mol:	609.291747
ΔH_f, kcal/mol:	-357.12
Dipole, Da:	5.29
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6,7-bis(triethylsilyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)COS(=O)(=O)CCC(C(C(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations