Geometry & MOs

Info

ID:

179864

PubChem CID:

76547503

Reduced:

ClFON2H11C13 (2)

Stoich.:

ABCD2E11F13 (2)

Weight, g/mol:

660.396331

ΔHf, kcal/mol:

-31.99

Dipole, Da:

4.5

IP(EA), eV:

 -9.59(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-difluorophenyl)-4-[[1-(3-ethynylphenyl)cyclopropyl]amino]-3-hydroxybutan-2-yl]-2,6-bis(dipropylamino)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)C2(CC2)NCC(C(CC3=CC(=CC(=C3)F)F)NC(=O)C4=CC(=NC(=N4)Cl)Cl)O

DOS

IR

Vibrations