Geometry & MOs

Info

ID:

229181

PubChem CID:

87567133

Reduced:

Si2N5O6C53H67 (1)

Stoich.:

A2B5C6D53E67 (1)

Weight, g/mol:

579.230411

ΔHf, kcal/mol:

-178.26

Dipole, Da:

8.27

IP(EA), eV:

 -7.83(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3,4-dioxo-2-(4-propylpiperazin-1-yl)cyclobuten-1-yl]-4-methylphenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)([C@H](CNCC1CCCC(C1)CNC(=O)CCN2CC[C@H](C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C5=C6C=CC(=O)NC6=C(C=C5)OCC7=CC=CC=C7)C(O[Si]C)O[Si]C

DOS

IR

Vibrations