Geometry & MOs

Info

ID:

298381

PubChem CID:

117648736

Reduced:

S2N6O6H22C25 (1)

Stoich.:

A2B6C6D22E25 (1)

Weight, g/mol:

527.276864

ΔHf, kcal/mol:

-81.04

Dipole, Da:

9.01

IP(EA), eV:

 -9.1(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-3-fluoro-6-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-4-methylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=CC=C2N=NC3=C(C(=CC(=C3N)S(=O)(=O)O)N=NC4=CC=CC=C4S(=O)(=O)O)N

DOS

IR

Vibrations