Geometry & MOs

Info

ID:	63376
PubChem CID:	26758205
Reduced:	F2N2O5H14C19 (1)
Stoich.:	A2B2C5D14E19 (1)
Weight, g/mol:	481.07832
ΔH_f, kcal/mol:	-238.27
Dipole, Da:	5.08
IP(EA), eV:	-9.11(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-tert-butyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations