Geometry & MOs

Info

ID:	122491
PubChem CID:	50809027
Reduced:	ClSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	5.21
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1,2-oxazol-5-yl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)CC#N

DOS

IR

Vibrations