Geometry & MOs

Info

ID:	243455
PubChem CID:	99224096
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	5.03
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-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)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations