Geometry & MOs

Info

ID:	59201
PubChem CID:	24775722
Reduced:	ClN2O2C10H17 (1)
Stoich.:	AB2C2D10E17 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	4.99
IP(EA), eV:	-9.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methylpyrrolidine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1/C=N/Cl

DOS

IR

Vibrations