Geometry & MOs

Info

ID:

31830

PubChem CID:

3720443

Reduced:

SN3O6H13C22 (1)

Stoich.:

AB3C6D13E22 (1)

Weight, g/mol:

379.128054

ΔHf, kcal/mol:

-92.44

Dipole, Da:

3.42

IP(EA), eV:

 -9.94(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-7-(2-hydroxyethyl)-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

DOS

IR

Vibrations