Geometry & MOs

Info

ID:

424816

PubChem CID:

135124054

Reduced:

SF3O4N5H28C29 (1)

Stoich.:

AB3C4D5E28F29 (1)

Weight, g/mol:

411.215806

ΔHf, kcal/mol:

-192.03

Dipole, Da:

5.9

IP(EA), eV:

 -9.53(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(1-ethyl-7-methoxy-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N(C1)CC3=CC(=CC=C3)N4C=CC(=C4[C@@H]5C[C@H]5C6=CN(N=N6)C)C(=O)O

DOS

IR

Vibrations