Geometry & MOs

Info

ID:

80111

PubChem CID:

49833002

Reduced:

BN2O7C20H23 (1)

Stoich.:

AB2C7D20E23 (1)

Weight, g/mol:

644.392433

ΔHf, kcal/mol:

-341.31

Dipole, Da:

8.79

IP(EA), eV:

 -9.7(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-bis[[(1S,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]methyl]penta-1,4-dien-3-ol

Drug info:

PubChemData

Smile

B([C@H](CC1=C(C(=CC=C1)C(=O)O)O)NC(=O)CC2=CC=C(C=C2)CNC(=O)C)(O)O

DOS

IR

Vibrations