Geometry & MOs

Info

ID:	229126
PubChem CID:	87567014
Reduced:	N2O2F3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	549.183461
ΔH_f, kcal/mol:	-188.87
Dipole, Da:	6.77
IP(EA), eV:	-10.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=O)CCC1=CN=C(C=C1)C(F)(F)F)OC

DOS

IR

Vibrations