Geometry & MOs

Info

ID:	228749
PubChem CID:	87565665
Reduced:	N2C4O7H8 (1)
Stoich.:	A2B4C7D8 (1)
Weight, g/mol:	546.107729
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	1.5
IP(EA), eV:	-11.76(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[3-chloro-4-(3-methoxypropylsulfanyl)phenyl]-5,5-dimethyl-2,4-dioxo-1-(pyridin-4-ylmethyl)imidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(OC(C)O[N+](=O)[O-])O[N+](=O)[O-]

DOS

IR

Vibrations