Geometry & MOs

Info

ID:

325915

PubChem CID:

126685542

Reduced:

ClFSN4O4C28H38 (1)

Stoich.:

ABCD4E4F28G38 (1)

Weight, g/mol:

744.237147

ΔHf, kcal/mol:

-156.34

Dipole, Da:

5.62

IP(EA), eV:

 -8.83(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2S)-1-(4-chlorophenyl)-3-[2-[2-(6-ethynyl-1,1-dioxo-1,2,5-thiadiazonan-3-yl)ethyl]-3-fluoroanilino]-3-oxo-1-[2-(2,2,2-trifluoroethyl)oxan-4-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@@H]2CN([C@H](CN2)CCC3=C(C=C(C3)F)NC(=O)[C@H](C(C4CCOCC4)C5=CC=C(C=C5)Cl)N)S(=O)(=O)C1

DOS

IR

Vibrations