Geometry & MOs

Info

ID:

437026

PubChem CID:

135213838

Reduced:

SN7O7C14H21 (1)

Stoich.:

AB7C7D14E21 (1)

Weight, g/mol:

456.117566

ΔHf, kcal/mol:

-186.01

Dipole, Da:

10.03

IP(EA), eV:

 -9.5(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(dimethylcarbamoyl)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]-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)NCCN

DOS

IR

Vibrations