Geometry & MOs

Info

ID:	229554
PubChem CID:	87568009
Reduced:	BrNPSF2O5C19H23 (1)
Stoich.:	ABCDE2F5G19H23 (1)
Weight, g/mol:	563.199111
ΔH_f, kcal/mol:	-331.34
Dipole, Da:	6.65
IP(EA), eV:	-9.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2)Br)(F)F)OCC

DOS

IR

Vibrations