Geometry & MOs

Info

ID:

186452

PubChem CID:

77435351

Reduced:

OSN3C19H31 (1)

Stoich.:

ABC3D19E31 (1)

Weight, g/mol:

860.565387

ΔHf, kcal/mol:

-41.16

Dipole, Da:

3.45

IP(EA), eV:

 -8.79(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[8-(1-acetyloxy-2-methyl-2-triethylsilyloxypropyl)-4,6,12,17,17-pentamethyl-11-triethylsilyloxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl]oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC=CSC(=NC(=CC)C(=O)NCC1C2CC(CC2CN1)C)C

DOS

IR

Vibrations