Geometry & MOs

Info

ID:

325872

PubChem CID:

126685358

Reduced:

SF3N4O6C31H41 (1)

Stoich.:

AB3C4D6E31F41 (1)

Weight, g/mol:

690.265412

ΔHf, kcal/mol:

-335.7

Dipole, Da:

6.5

IP(EA), eV:

 -9.36(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(CCCF)(C1=CC=C(C=C1)F)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CC[C@H]3CNC4CCCS(=O)(=O)N3C4)NC(=O)OC

DOS

IR

Vibrations