Geometry & MOs

Info

ID:	123343
PubChem CID:	50843521
Reduced:	ClSO3N6C22H25 (1)
Stoich.:	ABC3D6E22F25 (1)
Weight, g/mol:	499.144489
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	4.64
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)NCCC4=CC=CC=N4

DOS

IR

Vibrations