Geometry & MOs

Info

ID:

410242

PubChem CID:

135083033

Reduced:

NOC11H13 (2)

Stoich.:

ABC11D13 (2)

Weight, g/mol:

548.225762

ΔHf, kcal/mol:

-31.16

Dipole, Da:

9.52

IP(EA), eV:

 -8.18(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3,4-dimethoxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]oxolan-2-one

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H](C1(C)C)N/C=C\2/C=CC=CC2=O)N/C=C\3/C=CC=CC3=O

DOS

IR

Vibrations