Geometry & MOs

Info

ID:

191390

PubChem CID:

78141991

Reduced:

SN3O7C33H33 (1)

Stoich.:

AB3C7D33E33 (1)

Weight, g/mol:

928.482036

ΔHf, kcal/mol:

-215.76

Dipole, Da:

10.04

IP(EA), eV:

 -8.94(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-hydroxy-6-[5-hydroxy-4-methoxy-6-octoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-methoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-methoxy-6-(phenylmethoxymethyl)oxane-3,5-diol

Drug info:

PubChemData

Smile

CC1CC(C2CCC(=O)C(C2N1)CO)CNC(=S)NC3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O

DOS

IR

Vibrations