Geometry & MOs

Info

ID:	255693
PubChem CID:	103134032
Reduced:	FNO2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	289.077265
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	5.5
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-2-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)C2=CC=CC3=C2C=NC=C3)F

DOS

IR

Vibrations