Geometry & MOs

Info

ID:

223873

PubChem CID:

85335685

Reduced:

SN2O6C12H12 (2)

Stoich.:

AB2C6D12E12 (2)

Weight, g/mol:

624.273004

ΔHf, kcal/mol:

-233.59

Dipole, Da:

7.04

IP(EA), eV:

 -8.63(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)NS(=O)(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations