Geometry & MOs

Info

ID:

219183

PubChem CID:

85091296

Reduced:

SiO5C43H50 (1)

Stoich.:

AB5C43D50 (1)

Weight, g/mol:

675.175926

ΔHf, kcal/mol:

-122.75

Dipole, Da:

3.06

IP(EA), eV:

 -8.4(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methyl-1-pyridin-3-ylpropan-2-yl) 3-[2-(7-chloro-1-oxoisoquinolin-2-yl)butanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C=CC(C1C(=CC=C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(COC5=CC=C(C=C5)OC)O

DOS

IR

Vibrations