Geometry & MOs

Info

ID:	171730
PubChem CID:	75418474
Reduced:	SN2O3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-26.51
Dipole, Da:	5.88
IP(EA), eV:	-8.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CC3=C4C=CC=CC4=NN3

DOS

IR

Vibrations