Geometry & MOs

Info

ID:

81480

PubChem CID:

49854773

Reduced:

SN4O6C26H32 (1)

Stoich.:

AB4C6D26E32 (1)

Weight, g/mol:

508.235556

ΔHf, kcal/mol:

-170.76

Dipole, Da:

2.78

IP(EA), eV:

 -9.15(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methyl-1-phenylpropan-2-yl) 2-[(4R,6S)-6-[(1-tert-butyltetrazol-5-yl)sulfonylmethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1(O[C@H](C[C@H](O1)CS(=O)(=O)C2=NN=NN2C3=CC=CC=C3)CC(=O)OC(C)(C)CC4=CC=CC=C4)C

DOS

IR

Vibrations