Geometry & MOs

Info

ID:

57534

PubChem CID:

22405473

Reduced:

F3N5O5H24C25 (1)

Stoich.:

A3B5C5D24E25 (1)

Weight, g/mol:

629.289668

ΔHf, kcal/mol:

-253.08

Dipole, Da:

3.26

IP(EA), eV:

 -8.62(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-acetamido-2-oxo-6-phenylpyridin-1-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide;bicyclo[3.1.0]hexa-1(6),2,4-triene

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)/N=C\2/C=CC=CN2O)C3=CC=CC=C3

DOS

IR

Vibrations