Geometry & MOs

Info

ID:

136651

PubChem CID:

52078800

Reduced:

SN3O4C26H35 (1)

Stoich.:

AB3C4D26E35 (1)

Weight, g/mol:

514.134462

ΔHf, kcal/mol:

-138.45

Dipole, Da:

5.22

IP(EA), eV:

 -8.84(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-1-[(3R)-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C(=O)C3=NN(C4=C3CCCC4)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations