Geometry & MOs

Info

ID:

10241

PubChem CID:

99330

Reduced:

SN4O6C16H20 (1)

Stoich.:

AB4C6D16E20 (1)

Weight, g/mol:

396.110356

ΔHf, kcal/mol:

-165.98

Dipole, Da:

7.02

IP(EA), eV:

 -8.91(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-hydroxy-5-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]iminocarbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2N=NC(=N)S)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations