Geometry & MOs

Info

ID:

401086

PubChem CID:

135050058

Reduced:

SO3C13H18 (1)

Stoich.:

AB3C13D18 (1)

Weight, g/mol:

2521.343724

ΔHf, kcal/mol:

-102.41

Dipole, Da:

1.14

IP(EA), eV:

-9.15(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[3-(4-methylphenyl)sulfonyloxy-2-[[3-[3-(4-methylphenyl)sulfonyloxy-2,2-bis[(4-methylphenyl)sulfonyloxymethyl]propyl]sulfanyl-2,2-bis[[3-(4-methylphenyl)sulfonyloxy-2,2-bis[(4-methylphenyl)sulfonyloxymethyl]propyl]sulfanylmethyl]propyl]sulfanylmethyl]-2-[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1(C(O1)(C)C(=O)OC(C)(C)C)C2=CSC=C2

DOS

IR

Vibrations