Geometry & MOs

Info

ID:	63440
PubChem CID:	26758350
Reduced:	ClSO4N5C19H22 (1)
Stoich.:	ABC4D5E19F22 (1)
Weight, g/mol:	443.123895
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	2.41
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations