Geometry & MOs

Info

ID:	57536
PubChem CID:	22405480
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	452.16714
ΔH_f, kcal/mol:	-142.94
Dipole, Da:	3.73
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(=CC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CS3)OC

DOS

IR

Vibrations