Geometry & MOs

Info

ID:

220215

PubChem CID:

85165372

Reduced:

H25C26 (2)

Stoich.:

A25B26 (2)

Weight, g/mol:

674.243939

ΔHf, kcal/mol:

139.53

Dipole, Da:

0.83

IP(EA), eV:

 -8.51(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]-10-[2-(methoxymethoxy)-4-(2-methyl-1,3-dithiolan-2-yl)pentyl]-8-(4-methoxyphenyl)-7,9-dioxa-1,4-dithiaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)C(=CC=C(C3=CC=C(C=C3)CC)C4=CC=C(C=C4)C(=C)C5=CC=C(C=C5)CC)C6=CC=C(C=C6)CC

DOS

IR

Vibrations