Geometry & MOs

Info

ID:

379637

PubChem CID:

134452708

Reduced:

O4H25C31 (2)

Stoich.:

A4B25C31 (2)

Weight, g/mol:

277.152537

ΔHf, kcal/mol:

-165.48

Dipole, Da:

8.46

IP(EA), eV:

 -8.64(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-methyl-4-oxo-N-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyheptyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC4=C(C5=C(CCCC5)C=C4)C6=C(C=CC7=C6CCCC7)OC(=O)C8=CC=C(C=C8)C9=CC=C(C=C9)OC(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations