Geometry & MOs

Info

ID:	139845
PubChem CID:	52606781
Reduced:	ClFO3N4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	449.097619
ΔH_f, kcal/mol:	-121.93
Dipole, Da:	4.37
IP(EA), eV:	-9.27(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NC[C@H](C2=C(C=CC=C2Cl)F)N3CCO[C@@H](C3)C

DOS

IR

Vibrations