Geometry & MOs

Info

ID:

437024

PubChem CID:

135213836

Reduced:

SN5O9C19H21 (1)

Stoich.:

AB5C9D19E21 (1)

Weight, g/mol:

445.137967

ΔHf, kcal/mol:

-239.63

Dipole, Da:

15.24

IP(EA), eV:

 -9.36(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-aminoethyl(methyl)carbamoyl]-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)COC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations