Geometry & MOs

Info

ID:

35094

PubChem CID:

7979298

Reduced:

SN3O3C17H28 (1)

Stoich.:

AB3C3D17E28 (1)

Weight, g/mol:

349.109627

ΔHf, kcal/mol:

-101.99

Dipole, Da:

9.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755386

Charge, e:

 0

Chem-info

IUPAC name:

N'-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH2+]CC2CCCCC2

DOS

IR

Vibrations