Geometry & MOs

Info

ID:

381770

PubChem CID:

134972598

Reduced:

NS2O6C21H37 (1)

Stoich.:

AB2C6D21E37 (1)

Weight, g/mol:

477.22188

ΔHf, kcal/mol:

-332.69

Dipole, Da:

3.09

IP(EA), eV:

 -8.68(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(R)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methyl-1,3-dithian-2-yl)methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@H](C3(SCCCS3)C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations