Geometry & MOs

Info

ID:

449221

PubChem CID:

135296939

Reduced:

ClFON2H18C19 (1)

Stoich.:

ABCD2E18F19 (1)

Weight, g/mol:

460.111375

ΔHf, kcal/mol:

-45.36

Dipole, Da:

4.04

IP(EA), eV:

 -8.73(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-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

CC1=NC2=CC=CC=C2C(=C1Cl)N[C@H](C)C3=C(C=CC(=C3)CO)F

DOS

IR

Vibrations