Geometry & MOs

Info

ID:

45090

PubChem CID:

10507927

Reduced:

O9C35H44 (1)

Stoich.:

A9B35C44 (1)

Weight, g/mol:

609.291747

ΔHf, kcal/mol:

-365.79

Dipole, Da:

1.73

IP(EA), eV:

 -9.42(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-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

CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)O)OC(=O)C

DOS

IR

Vibrations