Geometry & MOs

Info

ID:

189124

PubChem CID:

77820263

Reduced:

FSN4O6C30H31 (1)

Stoich.:

ABC4D6E30F31 (1)

Weight, g/mol:

380.183503

ΔHf, kcal/mol:

-227.86

Dipole, Da:

6.36

IP(EA), eV:

 -8.57(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-13-[(3-hydroxy-4-methyloxolan-2-yl)methyl]-5,8,10-trioxatetracyclo[5.5.1.01,9.04,13]tridecane-6,11-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C)F)C(C(=O)NC(CC(=O)O)C2=CC=CC=C2S(=O)(=O)C)NC3=CC4=C(C=C3)C(=NC=C4)N

DOS

IR

Vibrations