Geometry & MOs

Info

ID:

222084

PubChem CID:

85293851

Reduced:

O3C17H17 (2)

Stoich.:

A3B17C17 (2)

Weight, g/mol:

538.201873

ΔHf, kcal/mol:

-131.06

Dipole, Da:

3.43

IP(EA), eV:

 -9.28(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[2-[4-(cyclohexylmethylsulfanyl)-2,3-dihydroxybutyl]sulfanyl-3,4,5-trihydroxycyclohexanecarbonyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(=O)C(C(O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations