Geometry & MOs

Info

ID:	63365
PubChem CID:	26758176
Reduced:	SO4N5C22H27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	403.147824
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	5.77
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations