Geometry & MOs

Info

ID:

83129

PubChem CID:

49857184

Reduced:

ClO2S3N5C17H18 (1)

Stoich.:

AB2C3D5E17F18 (1)

Weight, g/mol:

756.211294

ΔHf, kcal/mol:

20.08

Dipole, Da:

1.58

IP(EA), eV:

 -8.57(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3S,4R,5R,6S)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(CC2=CN=C(S2)N=C(N)N)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations