Geometry & MOs

Info

ID:

381769

PubChem CID:

134972597

Reduced:

NS2O5C19H33 (1)

Stoich.:

AB2C5D19E33 (1)

Weight, g/mol:

463.20623

ΔHf, kcal/mol:

-260.99

Dipole, Da:

7.15

IP(EA), eV:

 -8.53(0.2)

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]carbamate

Drug info:

PubChemData

Smile

CC(=O)N(C)[C@H]([C@@H]1[C@H](OC(O1)(C)C)[C@H]2COC(O2)(C)C)C3(SCCCS3)C

DOS

IR

Vibrations