Geometry & MOs

Info

ID:

297416

PubChem CID:

117617054

Reduced:

NO4C14H25 (1)

Stoich.:

AB4C14D25 (1)

Weight, g/mol:

656.235964

ΔHf, kcal/mol:

-209.31

Dipole, Da:

3.38

IP(EA), eV:

 -10.01(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(20S,26R,27R)-8-amino-26,27-dihydroxy-20,27-dimethyl-22-naphthalen-1-yloxy-22-oxo-11,18,23,28-tetraoxa-2,4,7,9,21-pentaza-22lambda5-phosphatetracyclo[23.2.1.02,6.05,10]octacosa-3,5,7,9-tetraen-19-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCCCCC=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations