Geometry & MOs

Info

ID:	139846
PubChem CID:	52606782
Reduced:	ClFSN3O3C21H21 (1)
Stoich.:	ABCD3E3F21G21 (1)
Weight, g/mol:	449.097619
ΔH_f, kcal/mol:	-59.89
Dipole, Da:	1.53
IP(EA), eV:	-9.13(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations