Geometry & MOs

Info

ID:

49788

PubChem CID:

11533828

Reduced:

O3N8C28H32 (1)

Stoich.:

A3B8C28D32 (1)

Weight, g/mol:

528.308704

ΔHf, kcal/mol:

-10.86

Dipole, Da:

1.42

IP(EA), eV:

 -8.25(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[(2R,3R,4S,5R,6R)-4-hydroxy-3,5-dimethyl-6-[(3S)-3-methyl-5-phenylmethoxypentyl]oxan-2-yl]-2,4-dimethoxy-3-methylphenyl] acetate

Drug info:

PubChemData

Smile

CN1C=C2C=CC(=CC2=N1)NC(=O)C3=CC=CC=C3NCC4=CC(=NC=C4)NC(=O)N5CCN(CC5)CCO

DOS

IR

Vibrations