Geometry & MOs

Info

ID:	79658
PubChem CID:	49829880
Reduced:	O4N5C21H34 (1)
Stoich.:	A4B5C21D34 (1)
Weight, g/mol:	402.159986
ΔH_f, kcal/mol:	-140.59
Dipole, Da:	2.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.024691
Charge, e:	1

Chem-info

IUPAC name:

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CCN(CC[NH+]2CCOCC2)C(=O)C3=NC=C(N=C3)C

DOS

IR

Vibrations