Geometry & MOs

Info

ID:

215193

PubChem CID:

85084343

Reduced:

OF3N4C36H38 (1)

Stoich.:

AB3C4D36E38 (1)

Weight, g/mol:

748.382902

ΔHf, kcal/mol:

-87.08

Dipole, Da:

6.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.929605

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-3,5-dimethyl-1,7-dioxaspiro[5.5]undec-10-en-8-yl]-2-hydroxy-2-methylbutyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC1CC2C3=C(CC[N+]2=CC1=CN(C)C(C4=CC=CC=C4)C(C5=CC=CC=C5)N(C)C(=O)C(F)(F)F)C6=CC=CC=C6N3

DOS

IR

Vibrations