Geometry & MOs

Info

ID:	63390
PubChem CID:	26758227
Reduced:	N2O7H20C21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	439.03137
ΔH_f, kcal/mol:	-224.24
Dipole, Da:	3.97
IP(EA), eV:	-8.2(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations