Geometry & MOs

Info

ID:	146827
PubChem CID:	53755653
Reduced:	ClSF2O4N5C21H26 (1)
Stoich.:	ABC2D4E5F21G26 (1)
Weight, g/mol:	658.24811
ΔH_f, kcal/mol:	-221.06
Dipole, Da:	1.85
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-isoquinolin-1-yl-6-(1-methylpyrrol-2-yl)-7-(2H-pyran-6-yl)-3-quinolin-2-yl-1H-indol-5-yl]cinnoline

Drug info:

PubChemData

Smile

C1COCCN1CCCCCNC(=O)NC2=C(C(=NS2)OCC3=CC(=C(C=C3F)Cl)F)C(=O)N

DOS

IR

Vibrations