Geometry & MOs

Info

ID:

448359

PubChem CID:

135290351

Reduced:

BrClNSO11C22H31 (1)

Stoich.:

ABCDE11F22G31 (1)

Weight, g/mol:

460.111375

ΔHf, kcal/mol:

-490.07

Dipole, Da:

10.42

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-9-[1-(difluoromethyl)pyrazol-4-yl]-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCC(C1=CC(=C(C=C1Br)Cl)OCCCOC)OS(=O)(=O)C)(C(=O)O)C(=O)O

DOS

IR

Vibrations