Geometry & MOs

Info

ID:

438568

PubChem CID:

135228312

Reduced:

IN2O2C16H17 (1)

Stoich.:

AB2C2D16E17 (1)

Weight, g/mol:

940.496641

ΔHf, kcal/mol:

-49.77

Dipole, Da:

4.97

IP(EA), eV:

-8.97(-1.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-hydroxyethyl 2-[[[2-[1-[1-[2-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]propan-2-yloxy]propan-2-yl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]methylsulfanyl]acetate

Drug info:

PubChemData

Smile

C1C=C(C2=C3C1C(=O)N(C(=O)C3=CC=C2)CCCCI)N

DOS

IR

Vibrations