Geometry & MOs

Info

ID:

189958

PubChem CID:

77932088

Reduced:

FO2C6H8 (2)

Stoich.:

AB2C6D8 (2)

Weight, g/mol:

717.317175

ΔHf, kcal/mol:

-262.94

Dipole, Da:

2.24

IP(EA), eV:

 -9.82(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,3-dimethyl-2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]butanoyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)COC(CO)C(CO)O

DOS

IR

Vibrations