Geometry & MOs

Info

ID:

227747

PubChem CID:

87562374

Reduced:

N2O3C43H82 (1)

Stoich.:

A2B3C43D82 (1)

Weight, g/mol:

502.134462

ΔHf, kcal/mol:

-246.19

Dipole, Da:

2.1

IP(EA), eV:

 -8.8(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[5-[[(3aR,4S,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]sulfamoyl]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(C(=O)CCCCCCC/C=C/CCCCCCCC)O)NCCCN(C)C

DOS

IR

Vibrations