Geometry & MOs

Info

ID:

435764

PubChem CID:

135192363

Reduced:

ClO2F3N9C31H31 (1)

Stoich.:

AB2C3D9E31F31 (1)

Weight, g/mol:

566.175706

ΔHf, kcal/mol:

-65.91

Dipole, Da:

4.43

IP(EA), eV:

 -8.0(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,3E)-3-(aminomethylidene)-10-[4-(6-chloro-1H-benzimidazol-4-yl)-6-oxopyrimidin-1-yl]-2-(difluoromethylimino)-6-methyl-4,12-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5F)Cl)N(/C=C(/C6CC6)\N)N

DOS

IR

Vibrations