Geometry & MOs

Info

ID:	166983
PubChem CID:	74761171
Reduced:	N3O5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	480.09374
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	4.88
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C=CC3=C(N(N=C3C)C)C

DOS

IR

Vibrations