Geometry & MOs

Info

ID:	63453
PubChem CID:	26758373
Reduced:	BrNF2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	491.058566
ΔH_f, kcal/mol:	-174.07
Dipole, Da:	5.29
IP(EA), eV:	-9.13(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations