Geometry & MOs

Info

ID:

81481

PubChem CID:

49854774

Reduced:

SN4O6C24H36 (1)

Stoich.:

AB4C6D24E36 (1)

Weight, g/mol:

514.213758

ΔHf, kcal/mol:

-224.05

Dipole, Da:

4.14

IP(EA), eV:

 -9.53(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methyl-1-phenylpropan-2-yl) 2-[(4R,6S)-2,2-dimethyl-6-[(1-methylbenzimidazol-2-yl)sulfonylmethyl]-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1(O[C@H](C[C@H](O1)CS(=O)(=O)C2=NN=NN2C(C)(C)C)CC(=O)OC(C)(C)CC3=CC=CC=C3)C

DOS

IR

Vibrations