Geometry & MOs

Info

ID:

44374

PubChem CID:

10503260

Reduced:

SN2O4C24H28 (1)

Stoich.:

AB2C4D24E28 (1)

Weight, g/mol:

440.256274

ΔHf, kcal/mol:

-145.96

Dipole, Da:

3.0

IP(EA), eV:

 -9.16(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5R,8R,10S,12R,13R)-5,10-dihydroxy-4,4,8,12,13-pentamethyl-21-oxapentacyclo[11.8.1.03,8.09,22.015,20]docosa-9(22),15(20),16,18-tetraene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C(=O)[C@H](C1)NC(=O)[C@H](CC2=CC=CC=C2)S)[C@@H](CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations