Geometry & MOs

Info

ID:	63401
PubChem CID:	26758248
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	465.04702
ΔH_f, kcal/mol:	-191.18
Dipole, Da:	7.05
IP(EA), eV:	-8.79(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations