Geometry & MOs

Info

ID:	134093
PubChem CID:	51642531
Reduced:	S2N3O5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	-162.39
Dipole, Da:	6.17
IP(EA), eV:	-8.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

benzyl-[2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations