Geometry & MOs

Info

ID:	68627
PubChem CID:	46508794
Reduced:	BrO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	462.103162
ΔH_f, kcal/mol:	1.56
Dipole, Da:	4.08
IP(EA), eV:	-9.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)C1=CC=C(C=C1)CN2C=NC=N2)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations