Geometry & MOs

Info

ID:

168765

PubChem CID:

75015408

Reduced:

ClO3N4C30H39 (1)

Stoich.:

AB3C4D30E39 (1)

Weight, g/mol:

475.218211

ΔHf, kcal/mol:

-128.86

Dipole, Da:

1.4

IP(EA), eV:

 -8.93(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;4-[2-[3-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-methylprop-1-enyl]-1,3-oxazol-5-yl]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2C(C3CC(C(CC3NC2=O)Cl)C(=O)NC4=CC=NC=C4)OCCC5CCCCN5)C

DOS

IR

Vibrations