Geometry & MOs

Info

ID:	63383
PubChem CID:	26758216
Reduced:	ClN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	453.04702
ΔH_f, kcal/mol:	-161.31
Dipole, Da:	4.43
IP(EA), eV:	-9.61(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations