Geometry & MOs

Info

ID:

424923

PubChem CID:

135124458

Reduced:

SF3N4O5C30H33 (1)

Stoich.:

AB3C4D5E30F33 (1)

Weight, g/mol:

595.246455

ΔHf, kcal/mol:

-270.17

Dipole, Da:

8.56

IP(EA), eV:

 -8.52(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[3-[[(4R)-4-ethyl-1,1-dihydroxy-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(1-ethyl-7-methoxy-4-methylbenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C=C2)C(F)(F)F)S(N(C1)CC3=C(C=CC(=C3)C(CC(=O)O)C4=CC5=C(C(=C4)OC)N(N=N5)C)C)(O)O

DOS

IR

Vibrations