Geometry & MOs

Info

ID:	208227
PubChem CID:	80505947
Reduced:	S2N3O4C10H21 (1)
Stoich.:	A2B3C4D10E21 (1)
Weight, g/mol:	232.099397
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	6.03
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]sulfonylacetonitrile

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)S(=O)(=O)C2CCS(=O)(=O)C2

DOS

IR

Vibrations