Geometry & MOs

Info

ID:	280166
PubChem CID:	103847311
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	4.02
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyloxolan-3-yl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1C(CCO1)SCCCOC2=CC=C(C=C2)C#N

DOS

IR

Vibrations