Geometry & MOs

Info

ID:

298046

PubChem CID:

117647375

Reduced:

F3O3N7C27H34 (1)

Stoich.:

A3B3C7D27E34 (1)

Weight, g/mol:

537.242119

ΔHf, kcal/mol:

-217.75

Dipole, Da:

7.42

IP(EA), eV:

 -8.56(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-6-(3,5-dimethoxyanilino)-3-fluoropyridin-2-yl]amino]-5-methylsulfanylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@H](C)[C@H](C4CC4)NC(=O)OC(C)(C)C)CC(F)F

DOS

IR

Vibrations