Geometry & MOs

Info

ID:	134039
PubChem CID:	51629391
Reduced:	N3O4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	371.190558
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	3.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877737
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-4-ium-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CC[NH+](CC2)CC3=CC=CO3

DOS

IR

Vibrations