Geometry & MOs

Info

ID:

435809

PubChem CID:

135192479

Reduced:

ClO2F5N10H22C28 (1)

Stoich.:

AB2C5D10E22F28 (1)

Weight, g/mol:

664.184889

ΔHf, kcal/mol:

-143.35

Dipole, Da:

6.23

IP(EA), eV:

 -10.03(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[4-[2-[amino-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]amino]-5-chloropyridin-3-yl]-6-oxopyrimidin-1-yl]-3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCC(C2=NC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(N=CC(=C5)Cl)N6C=C(N=N6)C(F)(F)F

DOS

IR

Vibrations