Geometry & MOs

Info

ID:

308556

PubChem CID:

126496998

Reduced:

PN4O5C29H35 (1)

Stoich.:

AB4C5D29E35 (1)

Weight, g/mol:

642.252371

ΔHf, kcal/mol:

-138.59

Dipole, Da:

8.27

IP(EA), eV:

 -8.02(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-7-[(2S)-1-[(3S)-1-[(1S,4S)-1-ethoxy-2,3,4-trihydroxypentoxy]-3-hydroxybutan-2-yl]oxy-2,3-dihydroxypropoxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC(=C1)COP)COC2=C(C=C(C(=C2)NC)C(=O)N3CCC4=CC=CC=C43)OC)NC

DOS

IR

Vibrations