Geometry & MOs

Info

ID:

438145

PubChem CID:

135227773

Reduced:

S2N4O15C29H34 (1)

Stoich.:

A2B4C15D29E34 (1)

Weight, g/mol:

694.161465

ΔHf, kcal/mol:

-611.68

Dipole, Da:

11.99

IP(EA), eV:

 -10.17(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[2-[(4-methylphenyl)sulfinylcarbamoyloxy]propanoyloxy]propanoylcarbamoylamino]-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfanylcarbamoyloxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C)C(=O)OC(C)C(=O)NC(=O)NC(=O)C(C)OC(=O)C(C)OC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations