Geometry & MOs

Info

ID:

297978

PubChem CID:

117644518

Reduced:

FO4N9C28H30 (1)

Stoich.:

AB4C9D28E30 (1)

Weight, g/mol:

441.203699

ΔHf, kcal/mol:

-77.22

Dipole, Da:

6.36

IP(EA), eV:

 -8.89(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1S,2R)-1-amino-1-cyclopropylpropan-2-yl]amino]-5-fluoro-2-[[6-methoxy-5-(triazol-1-yl)pyridin-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC3CCC(CC3NC(=O)O)OCC4=CC=CC=C4)N5N=CC=N5

DOS

IR

Vibrations