Geometry & MOs

Info

ID:

429458

PubChem CID:

135169507

Reduced:

OF3N7H16C23 (1)

Stoich.:

AB3C7D16E23 (1)

Weight, g/mol:

499.08991

ΔHf, kcal/mol:

-5.66

Dipole, Da:

6.74

IP(EA), eV:

 -9.44(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(methylideneamino)methyl]-6-(triazol-2-yl)pyridin-3-yl]-1-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=CC=CC=C54)C(F)(F)F

DOS

IR

Vibrations