Geometry & MOs

Info

ID:

310662

PubChem CID:

126584165

Reduced:

N2O5C13H14 (1)

Stoich.:

A2B5C13D14 (1)

Weight, g/mol:

531.111886

ΔHf, kcal/mol:

-105.09

Dipole, Da:

2.22

IP(EA), eV:

 -8.85(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(1R,5R,6S)-3-amino-2,2,5-trimethyl-1-oxo-1lambda6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=CC(=C21)[N+](=O)[O-])OC)CCC(=O)O

DOS

IR

Vibrations