Geometry & MOs

Info

ID:	271473
PubChem CID:	103680516
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	218.072513
ΔH_f, kcal/mol:	-98.7
Dipole, Da:	3.42
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2-ethylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CNC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations