Geometry & MOs

Info

ID:	36353
PubChem CID:	8002113
Reduced:	SN4O4C16H16 (1)
Stoich.:	AB4C4D16E16 (1)
Weight, g/mol:	398.117939
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	10.32
IP(EA), eV:	-8.42(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3)OC

DOS

IR

Vibrations