Geometry & MOs

Info

ID:	206077
PubChem CID:	80199776
Reduced:	SF2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	373.99161
ΔH_f, kcal/mol:	-22.09
Dipole, Da:	2.42
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-isoquinolin-8-ylbenzamide

Drug info:

PubChemData

Smile

C1CC1C(C2=NC(=CS2)C3=CC(=CC(=C3)F)F)N

DOS

IR

Vibrations