Geometry & MOs

Info

ID:	57532
PubChem CID:	22405470
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	519.172953
ΔH_f, kcal/mol:	-192.32
Dipole, Da:	3.69
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(1H-imidazol-5-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenylpyridin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC(CN1C(=CC=C(C1=O)C(=O)OC)C2=CC=CO2)OC

DOS

IR

Vibrations