Geometry & MOs

Info

ID:	57546
PubChem CID:	22405500
Reduced:	NSO5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	543.198105
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	10.31
IP(EA), eV:	-9.78(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(=CC=C(C1=O)C(=O)O)C2=CC=CS2)OC

DOS

IR

Vibrations