Geometry & MOs

Info

ID:	21619
PubChem CID:	589258
Reduced:	SO2N4C10H12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	252.068097
ΔH_f, kcal/mol:	-10.98
Dipole, Da:	7.09
IP(EA), eV:	-9.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propylsulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C(=CNC1=NC=CC=N1)C#N

DOS

IR

Vibrations