Geometry & MOs

Info

ID:

185856

PubChem CID:

77360688

Reduced:

SN2O6C36H46 (1)

Stoich.:

AB2C6D36E46 (1)

Weight, g/mol:

432.140964

ΔHf, kcal/mol:

-235.08

Dipole, Da:

9.18

IP(EA), eV:

 -8.37(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;5-[(4-cyanophenyl)carbamoylamino]-1-(1-hydroxyethyl)-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(CC)C(CSC1=C(C=CC(=C1)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC(C)NC(=O)C)C(=O)O

DOS

IR

Vibrations