Geometry & MOs

Info

ID:	416442
PubChem CID:	135089455
Reduced:	ClSN2O4C14H19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	292.172168
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	6.32
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]-2-methylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations