Geometry & MOs

Info

ID:	350421
PubChem CID:	127277783
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	351.092059
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	5.02
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(1-methylimidazol-2-yl)sulfanylpyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)C

DOS

IR

Vibrations