Geometry & MOs

Info

ID:

54185

PubChem CID:

14747240

Reduced:

S2O8C35H40 (1)

Stoich.:

A2B8C35D40 (1)

Weight, g/mol:

736.310361

ΔHf, kcal/mol:

-257.21

Dipole, Da:

7.93

IP(EA), eV:

 -8.99(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(4-methylphenyl)sulfonyloxyethoxymethyl]-3-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]propoxy]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOCC(CC2=CC=CC=C2)(CC3=CC=CC=C3)COCCOS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations