Geometry & MOs

Info

ID:

195333

PubChem CID:

78674358

Reduced:

OSN3C22H28 (1)

Stoich.:

ABC3D22E28 (1)

Weight, g/mol:

406.131091

ΔHf, kcal/mol:

40.17

Dipole, Da:

3.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.799797

Charge, e:

 0

Chem-info

IUPAC name:

N-(tert-butylcarbamoyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC4=C(C3C5CC5)C=CS4

DOS

IR

Vibrations