Geometry & MOs

Info

ID:

14705

PubChem CID:

418542

Reduced:

SN3O6H43C47 (1)

Stoich.:

AB3C6D43E47 (1)

Weight, g/mol:

777.287257

ΔHf, kcal/mol:

-60.23

Dipole, Da:

4.38

IP(EA), eV:

 -8.65(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCN(CCO)C1=CN(C(=O)N(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations