Geometry & MOs

Info

ID:

311348

PubChem CID:

126590632

Reduced:

SN3O5C28H37 (1)

Stoich.:

AB3C5D28E37 (1)

Weight, g/mol:

539.195088

ΔHf, kcal/mol:

-94.43

Dipole, Da:

3.02

IP(EA), eV:

 -8.67(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-N-[4-(2-ethoxyphenyl)-5-(6-methoxypyridin-2-yl)-1,2,4-triazol-3-yl]-1-methoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=NC=C(C)C)N=C)OCC=C)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations