Geometry & MOs

Info

ID:

186869

PubChem CID:

77499039

Reduced:

SN2Si2O11C35H58 (1)

Stoich.:

AB2C2D11E35F58 (1)

Weight, g/mol:

666.270107

ΔHf, kcal/mol:

-519.54

Dipole, Da:

9.09

IP(EA), eV:

 -8.96(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-fluoro-2-[[5-methoxy-1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,5-dioxopentan-2-yl]carbamoyl]-7-methylquinolin-4-yl]oxy-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)OC(=O)O)OCOCC[Si](C)(C)C)S(=O)(=O)C2=CC(=C(C=C2)OCOCC[Si](C)(C)C)NC(=O)OC

DOS

IR

Vibrations