Geometry & MOs

Info

ID:

431848

PubChem CID:

135171962

Reduced:

SF3O3N4C24H33 (1)

Stoich.:

AB3C3D4E24F33 (1)

Weight, g/mol:

680.22286

ΔHf, kcal/mol:

-261.51

Dipole, Da:

6.09

IP(EA), eV:

 -8.86(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]phenyl]-methyl-oxo-lambda6-sulfanylidene]carbamate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations