Geometry & MOs

Info

ID:	57556
PubChem CID:	22405519
Reduced:	F3N3O5C28H30 (1)
Stoich.:	A3B3C5D28E30 (1)
Weight, g/mol:	515.133791
ΔH_f, kcal/mol:	-324.31
Dipole, Da:	6.1
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-methylsulfonylacetyl)amino]-2-oxo-6-phenylpyridin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(C(F)(F)F)O)NC(=O)CN1C(=CC=C(C1=O)NC(=O)CC2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations