Geometry & MOs

Info

ID:

297750

PubChem CID:

117629043

Reduced:

S2F3N4O6C34H37 (1)

Stoich.:

A2B3C4D6E34F37 (1)

Weight, g/mol:

477.094075

ΔHf, kcal/mol:

-323.83

Dipole, Da:

7.07

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S)-1-[2-(3-aminopropyl)phenyl]ethyl]-5-fluoro-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N([C@H](CO)C1=CC=C(S1)[C@H](C(F)(F)F)N(C(=O)[C@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)N

DOS

IR

Vibrations