Geometry & MOs

Info

ID:	328916
PubChem CID:	126729191
Reduced:	O2N3H29C42 (1)
Stoich.:	A2B3C29D42 (1)
Weight, g/mol:	367.102434
ΔH_f, kcal/mol:	132.04
Dipole, Da:	2.17
IP(EA), eV:	-8.58(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=NC(=NC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)OC7=C1C=CC8=C7OC9=CC=CC=C89)C

DOS

IR

Vibrations