Geometry & MOs

Info

ID:	63403
PubChem CID:	26758252
Reduced:	FN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	431.162725
ΔH_f, kcal/mol:	-200.02
Dipole, Da:	5.6
IP(EA), eV:	-9.57(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-oxolan-2-yl]methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations