Geometry & MOs

Info

ID:

221788

PubChem CID:

85286144

Reduced:

O6C16H23 (2)

Stoich.:

A6B16C23 (2)

Weight, g/mol:

622.289031

ΔHf, kcal/mol:

-506.26

Dipole, Da:

3.61

IP(EA), eV:

 -9.44(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-2-methylpropanoyl]oxy-4-methylpentanoyl]oxy-6-oxo-8-phenylocta-2,7-dienoic acid

Drug info:

PubChemData

Smile

CC1CC(C2(C(C1(C)C3CC4C=COC4O3)CC(CC25CO5)O)COC(=O)CC(C)OC(=O)CC(C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations