Geometry & MOs

Info

ID:

434779

PubChem CID:

135175700

Reduced:

ClN2O4F6H23C28 (1)

Stoich.:

AB2C4D6E23F28 (1)

Weight, g/mol:

654.099233

ΔHf, kcal/mol:

-413.57

Dipole, Da:

5.8

IP(EA), eV:

 -9.37(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[6-(1,1-difluoropropyl)pyridin-3-yl]-5-(2,2-diformyl-3-oxopropanoyl)phenyl]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=NC=C(C=C1)C2=C(C=C(C=C2Cl)NC(=O)C3(CC3)C4=C(C=C(C=C4)OC(F)(F)F)F)C(=O)OCC)(F)F

DOS

IR

Vibrations