Geometry & MOs

Info

ID:	42848
PubChem CID:	8150092
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	396.174573
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	3.73
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)N4CCC(CC4)C(=O)OC

DOS

IR

Vibrations