Geometry & MOs

Info

ID:

215398

PubChem CID:

85084680

Reduced:

PSiS2N4O6C46H51 (1)

Stoich.:

ABC2D4E6F46G51 (1)

Weight, g/mol:

878.518028

ΔHf, kcal/mol:

-140.3

Dipole, Da:

7.56

IP(EA), eV:

 -8.71(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[2-[5-ethyl-5-[5-[2-(4-methoxyphenyl)-6,8-dimethyl-1,3,10-trioxaspiro[4.5]decan-9-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate

Drug info:

PubChemData

Smile

CC(C1C(N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)OC)C(CC#N)C(=O)CSC6=NN=CS6)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations