Geometry & MOs

Info

ID:

396110

PubChem CID:

135027411

Reduced:

NSO2H17C19 (1)

Stoich.:

ABC2D17E19 (1)

Weight, g/mol:

642.434708

ΔHf, kcal/mol:

3.48

Dipole, Da:

7.0

IP(EA), eV:

 -8.51(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S)-4-hydroxy-4-methylhex-5-en-3-yl] (2R,3S,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,6,10-trimethyl-9-oxo-5-triethylsilyloxyundec-10-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C=C)C3=CC=CC=C3

DOS

IR

Vibrations