Geometry & MOs

Info

ID:

424865

PubChem CID:

135124260

Reduced:

SO4N10C30H34 (1)

Stoich.:

AB4C10D30E34 (1)

Weight, g/mol:

391.166269

ΔHf, kcal/mol:

32.7

Dipole, Da:

2.66

IP(EA), eV:

 -9.33(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[4-chloro-3-(hydroxymethyl)phenyl]-5-(1-cyclobutyltriazol-4-yl)-2,2-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)[C@H](CC(=O)NC4=NNN=N4)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations