Geometry & MOs

Info

ID:

215076

PubChem CID:

85084108

Reduced:

SF2O3N5C38H45 (1)

Stoich.:

AB2C3D5E38F45 (1)

Weight, g/mol:

690.11986

ΔHf, kcal/mol:

-146.98

Dipole, Da:

3.11

IP(EA), eV:

 -8.82(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[9,9-dibromo-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethylnona-2,8-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

Drug info:

PubChemData

Smile

CCCNS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)N2CCC(CC2)(CCN3C4CCC3CC(C4)N5C(=NC6=CC=CC=C65)C)C7=CC=CC=C7)F

DOS

IR

Vibrations