Geometry & MOs

Info

ID:

437025

PubChem CID:

135213837

Reduced:

SN7O7C15H23 (1)

Stoich.:

AB7C7D15E23 (1)

Weight, g/mol:

431.122317

ΔHf, kcal/mol:

-183.95

Dipole, Da:

9.61

IP(EA), eV:

 -9.33(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2-aminoethylcarbamoyl)-7-(dimethylcarbamoyl)-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CN1C2=C(C3CN(C2C(=O)N(C)C)C(=O)N3OS(=O)(=O)O)C(=N1)C(=O)N(C)CCN

DOS

IR

Vibrations