Geometry & MOs

Info

ID:

170271

PubChem CID:

75214653

Reduced:

SO2C27H46 (1)

Stoich.:

AB2C27D46 (1)

Weight, g/mol:

568.408752

ΔHf, kcal/mol:

-167.06

Dipole, Da:

1.93

IP(EA), eV:

 -8.01(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[8-(6-hydroxy-3,5-dimethylhept-4-enyl)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-4-(3-methoxypropanoylamino)-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1O)C)SCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

DOS

IR

Vibrations