Geometry & MOs

Info

ID:

325890

PubChem CID:

126685446

Reduced:

SO3F4N4C31H38 (1)

Stoich.:

AB3C4D4E31F38 (1)

Weight, g/mol:

629.22836

ΔHf, kcal/mol:

-251.71

Dipole, Da:

11.46

IP(EA), eV:

 -9.28(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(3,4-difluorophenyl)-N-[2-[2-(6-ethynyl-1,1-dioxo-1,2,5-thiadiazonan-3-yl)ethyl]-3-fluorophenyl]-3-(6-methoxypyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

C#CC1CCCS(=O)(=O)NC(CN1)CCC2=C(C=CC=C2F)NC(=O)[C@H]([C@@H](C3CCC(CC3)(F)F)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations