Geometry & MOs

Info

ID:	64749
PubChem CID:	29203946
Reduced:	FN4O5H19C20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	483.129791
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	7.5
IP(EA), eV:	-9.48(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

DOS

IR

Vibrations