Geometry & MOs

Info

ID:	306282
PubChem CID:	125003540
Reduced:	FO2S2N4C20H21 (1)
Stoich.:	AB2C2D4E20F21 (1)
Weight, g/mol:	424.15537
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	1.94
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CC[C@H](C2)C3=NC(=CC(=C3)NC4=NC=CS4)C

DOS

IR

Vibrations