Geometry & MOs

Info

ID:

80771

PubChem CID:

49836675

Reduced:

SO2N4H16C18 (1)

Stoich.:

AB2C4D16E18 (1)

Weight, g/mol:

802.353058

ΔHf, kcal/mol:

136.06

Dipole, Da:

4.15

IP(EA), eV:

 -8.33(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-[[(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl]-[(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methyl] imidazole-1-carbothioate

Drug info:

PubChemData

Smile

C1=C/C(=C\N=O)/N(C=C1)CC2=CC=C(S2)CN\3C=CC=C/C3=C/N=O

DOS

IR

Vibrations