Geometry & MOs

Info

ID:

424948

PubChem CID:

135124542

Reduced:

OF2N3H23C28 (1)

Stoich.:

AB2C3D23E28 (1)

Weight, g/mol:

508.214427

ΔHf, kcal/mol:

-20.86

Dipole, Da:

9.12

IP(EA), eV:

 -8.71(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CNC3=C(C=C(C=C3[C@]2(C=C(C1=O)C#N)C)C4=CC(=NC=C4)CF)C5=CC=CC=C5F

DOS

IR

Vibrations