Geometry & MOs

Info

ID:

298383

PubChem CID:

117648765

Reduced:

FSO3N7C27H32 (1)

Stoich.:

ABC3D7E27F32 (1)

Weight, g/mol:

454.2241

ΔHf, kcal/mol:

-92.74

Dipole, Da:

8.95

IP(EA), eV:

 -8.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(2S)-2-amino-1-cyclopropylpropyl]amino]-2-[(6-ethoxy-5-pyrazol-1-ylpyridin-3-yl)amino]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC(=C2C=N1)NC3=NC(=C(C=C3C(=O)N)F)N[C@H](C4=CC=CS4)[C@H](C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations