Geometry & MOs

Info

ID:	416809
PubChem CID:	135090459
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	253.133888
ΔH_f, kcal/mol:	-161.96
Dipole, Da:	5.24
IP(EA), eV:	-9.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations