Geometry & MOs

Info

ID:

296971

PubChem CID:

117603412

Reduced:

SO3N5C22H27 (1)

Stoich.:

AB3C5D22E27 (1)

Weight, g/mol:

127.063329

ΔHf, kcal/mol:

-43.35

Dipole, Da:

3.61

IP(EA), eV:

-8.56(-0.75)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-hydroxycyclopent-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=CN=C2N3CCC(CC3)CNS(=O)(=O)C)C4=C(C=NC=C4)OC

DOS

IR

Vibrations