Geometry & MOs

Info

ID:	430029
PubChem CID:	135170086
Reduced:	NS2O3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	7.14
IP(EA), eV:	-8.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]iminoisoquinolin-7-one

Drug info:

PubChemData

Smile

CC(=C(/C=C(\C=C)/N(C)C)SS(=O)(=O)O)C

DOS

IR

Vibrations