Geometry & MOs

Info

ID:	243456
PubChem CID:	99224099
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	410.156575
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	5.4
IP(EA), eV:	-8.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations