Geometry & MOs

Info

ID:

297979

PubChem CID:

117644519

Reduced:

FO2N9C20H24 (1)

Stoich.:

AB2C9D20E24 (1)

Weight, g/mol:

543.235393

ΔHf, kcal/mol:

12.11

Dipole, Da:

3.92

IP(EA), eV:

 -8.76(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-1-[[5-carbamoyl-3-fluoro-6-[[6-(2-methoxyethoxy)-5-(triazol-2-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-1-cyclobutylpropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1CC1)N)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)OC)N4C=CN=N4)C(=O)N)F

DOS

IR

Vibrations