Geometry & MOs

Info

ID:

298031

PubChem CID:

117647315

Reduced:

F2O3N6C23H30 (1)

Stoich.:

A2B3C6D23E30 (1)

Weight, g/mol:

555.271779

ΔHf, kcal/mol:

-211.49

Dipole, Da:

5.2

IP(EA), eV:

 -8.69(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-6-[[6-ethoxy-5-(triazol-1-yl)pyridin-3-yl]amino]-3-fluoropyridin-2-yl]amino]-1-cyclopropylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)F

DOS

IR

Vibrations