Geometry & MOs

Info

ID:

222104

PubChem CID:

85294132

Reduced:

PN5O8C28H36 (1)

Stoich.:

AB5C8D28E36 (1)

Weight, g/mol:

600.17541

ΔHf, kcal/mol:

-382.37

Dipole, Da:

9.55

IP(EA), eV:

 -9.02(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[12-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-hydroxy-6,6-dimethyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadecan-9-yl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCP(=O)(N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)O)O)NC(=O)C

DOS

IR

Vibrations