Geometry & MOs

Info

ID:

229018

PubChem CID:

87566787

Reduced:

O2N3F7H22C25 (1)

Stoich.:

A2B3C7D22E25 (1)

Weight, g/mol:

553.178376

ΔHf, kcal/mol:

-381.01

Dipole, Da:

4.64

IP(EA), eV:

 -9.63(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(2-methoxyethylamino)-3,4-dioxocyclobuten-1-yl]-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC=C(C=C1)F)N[C@@H](CCC2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations