Geometry & MOs

Info

ID:

180393

PubChem CID:

76627207

Reduced:

SN3O4C26H31 (1)

Stoich.:

AB3C4D26E31 (1)

Weight, g/mol:

585.426748

ΔHf, kcal/mol:

-117.61

Dipole, Da:

3.51

IP(EA), eV:

 -8.73(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[2-[[4-(3,4-dimethylphenyl)-2-methyl-1-(2-methylpropoxy)-1-oxopentan-2-yl]amino]-2-methylbutanoyl]-5,5,6,6-tetramethyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrole-2-carbonyl]oxidanium

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC3=CC=C(C=C3)N4C=NC5=C(C4=O)SC(=C5)C(C6CCOCC6)O

DOS

IR

Vibrations