Geometry & MOs

Info

ID:

437013

PubChem CID:

135213726

Reduced:

SO6N7C14H23 (1)

Stoich.:

AB6C7D14E23 (1)

Weight, g/mol:

448.116504

ΔHf, kcal/mol:

-149.5

Dipole, Da:

11.56

IP(EA), eV:

 -8.91(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(dimethylcarbamoyl)-5-methyl-9-oxo-3-[(E)-2-pyridin-3-ylethenyl]-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)CNCCN

DOS

IR

Vibrations