Geometry & MOs

Info

ID:

173612

PubChem CID:

75662947

Reduced:

SO3N4H21C22 (1)

Stoich.:

AB3C4D21E22 (1)

Weight, g/mol:

339.150881

ΔHf, kcal/mol:

1.09

Dipole, Da:

3.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.010135

Charge, e:

 1

Chem-info

IUPAC name:

benzyl-cyclopropyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)NC3CCCC4=CC=CC=C34)[O-]

DOS

IR

Vibrations