Geometry & MOs

Info

ID:	242932
PubChem CID:	99214364
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	457.02264
ΔH_f, kcal/mol:	19.03
Dipole, Da:	4.58
IP(EA), eV:	-8.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-chlorophenoxy)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C

DOS

IR

Vibrations