Geometry & MOs

Info

ID:	305732
PubChem CID:	124967121
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	2.24
IP(EA), eV:	-9.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(6-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCO[C@@H](C2)C3=CC(=NC=C3)C

DOS

IR

Vibrations