Geometry & MOs

Info

ID:

184521

PubChem CID:

77171973

Reduced:

SO4N5C29H45 (1)

Stoich.:

AB4C5D29E45 (1)

Weight, g/mol:

451.144489

ΔHf, kcal/mol:

-188.81

Dipole, Da:

3.83

IP(EA), eV:

 -8.68(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclohexyl-3-methyl-N-(2-methyl-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-6-yl)thieno[2,3-c]pyrazole-5-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCC1CCCC(C1)C2=NC3(CCN(CC3)S(=O)(=O)CCC4=C(C=C(C=C4C)N(C)C(=O)N)C)C(=O)N2

DOS

IR

Vibrations